⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1362681 | 0.71 | — | — | |
| SCHEMBL14354358 | 0.69 | TSHR (0.52) | — | |
| SCHEMBL14163476 | 0.67 | TSHR (0.56) | — | |
| SCHEMBL6591651 | 0.65 | TSHR (0.42) | — | |
| SCHEMBL9242424 | 0.65 | — | — | |
| SCHEMBL8997547 | 0.65 | — | — | |
| SCHEMBL6100849 | 0.65 | — | — | |
| SCHEMBL437096 | 0.65 | — | — | |
| SCHEMBL21767 | 0.65 | — | — | |
| SCHEMBL31114 | 0.65 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 51 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | claimed |
| US-8088770-B2 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES, INC. (US) | 2012-01-03 | — | — | US | claimed |
| US-20110288076-A1 | Sphingosine-1-Phosphate Receptor Antagonists | EXELIXIS, INC. (US) | 2011-11-24 | — | — | US | claimed |
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | claimed |
| US-7951815-B2 | Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds | GRUENENTHAL GMBH (DE) | 2011-05-31 | — | — | US | claimed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | claimed |
| EP-2170851-A1 | MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS | Gilead Sciences, Inc. (US) | 2010-04-07 | — | — | EP | claimed |
| EP-1730147-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2010-02-03 | — | — | EP | claimed |
| US-20090181902-A1 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES,INC. (US) | 2009-07-16 | — | — | US | claimed |
| WO-2005095402-A9 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2009-06-11 | — | — | WO | claimed |
| WO-2009008989-A1 | MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS | GILEAD SCIENCES, INC. (US) | 2009-01-15 | — | — | WO | claimed |
| US-20070015784-A1 | Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds | GRUENENTHAL GMBH (DE) | 2007-01-18 | — | — | US | claimed |
| EP-1730147-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2006-12-13 | — | — | EP | claimed |
| WO-2005095402-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2005-10-13 | — | — | WO | claimed |
| EP-1063235-B1 | BENZOFURYLPYRONE DERIVATIVES | TEIJIN LTD (JP) | 2004-05-12 | — | — | EP | claimed |
| US-20030186976-A1 | Benzofurylpyrone derivatives | TEIJIN LIMITED, MICROBIAL CHEMISTRY RESEARCH FOUNDATION | 2003-10-02 | — | — | US | claimed |
| EP-1063235-A1 | BENZOFURYLPYRONE DERIVATIVES | TEIJIN LIMITED (JP) | 2000-12-27 | — | — | EP | claimed |
| US-4816454-A | CARDIOVASCULAR DISORDERS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1989-03-28 | — | — | US | claimed |
| EP-0175363-A2 | 4,5-Dihydro-3(2H)-pyridazinones, process for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1986-03-26 | — | — | EP | claimed |
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| US-8088770-B2 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES, INC. (US) | 2012-01-03 | — | — | US | disclosed |
| US-20110288076-A1 | Sphingosine-1-Phosphate Receptor Antagonists | EXELIXIS, INC. (US) | 2011-11-24 | — | — | US | disclosed |
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| US-7951815-B2 | Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds | GRUENENTHAL GMBH (DE) | 2011-05-31 | — | — | US | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |
| EP-2170851-A1 | MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS | Gilead Sciences, Inc. (US) | 2010-04-07 | — | — | EP | disclosed |
| EP-1730147-B1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2010-02-03 | — | — | EP | disclosed |
| US-20090181902-A1 | Modulators of pharmacokinetic properties of therapeutics | GILEAD SCIENCES,INC. (US) | 2009-07-16 | — | — | US | disclosed |
| WO-2005095402-A9 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | GRUENENTHAL GMBH (DE) | 2009-06-11 | — | — | WO | disclosed |
| CN-100469770-C | 5-substituted-pyrazine or -pyridine glucokinase activators | HOFFMANN LA ROCHE (CH) | 2009-03-18 | — | — | CN | disclosed |
| WO-2009008989-A1 | MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS | GILEAD SCIENCES, INC. (US) | 2009-01-15 | — | — | WO | disclosed |
| EP-1849465-A1 | AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR | Takeda Pharmaceutical Company Limited (JP) | 2007-10-31 | — | — | EP | disclosed |
| EP-1572670-B1 | 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS | HOFFMANN LA ROCHE (CH) | 2007-08-22 | — | — | EP | disclosed |
| US-20070015784-A1 | Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds | GRUENENTHAL GMBH (DE) | 2007-01-18 | — | — | US | disclosed |
| EP-1730147-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2006-12-13 | — | — | EP | disclosed |
| US-7132425-B2 | 5-substituted-six-membered heteroaromatic glucokinase activators | HOFFMANN-LA ROCHE INC. (US) | 2006-11-07 | — | — | US | disclosed |
| CN-1726197-A | 5-substituted-pyrazine or -pyridine glucokinase activators | HOFFMANN LA ROCHE (CH) | 2006-01-25 | — | — | CN | disclosed |
| WO-2005095402-A1 | SUBSTITUTED 1,4,8-TRIAZASPIRO[4.5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY | Grünenthal GmbH (DE) | 2005-10-13 | — | — | WO | disclosed |
| EP-1572670-A1 | 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-14 | — | — | EP | disclosed |
| EP-0709375-B1 | Therapeutic heterocycles | ASTRAZENECA AB (SE) | 2005-05-18 | — | — | EP | disclosed |
| US-20040147748-A1 | 5-Substituted-six-membered heteroaromatic glucokinase activators | CHEN SHAOQING (US) | 2004-07-29 | — | — | US | disclosed |
| WO-2004052869-A1 | 5-SUBSTITUTED-PYRAZINE OR PYRIDINE GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-06-24 | — | — | WO | disclosed |
| WO-2001056358-A2 | ENHANCED PROPERTIED PESTICIDES | ROHM AND HAAS COMPANY (US) | 2001-08-09 | — | — | WO | disclosed |
| WO-2001055082-A2 | INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS | ROHM AND HAAS COMPANY (US) | 2001-08-02 | — | — | WO | disclosed |
| US-6147083-A | NOVEL SUBSTITUTED 1,2-ETHANEDIAMINE DERIVATIVES WHICH ANTAGONIZE THE PHARMACOLOGICAL ACTIONS OF THE ENDOGENOUS NEUROPEPTIDE TACHYKININS KNOWN AS NEUROKININS, USEFUL FOR THE TREATMENT OF ASTHMA, ETC. | ZENECA LIMITED (GB) | 2000-11-14 | — | — | US | disclosed |
| US-5998444-A | ANTIASTHMA AGENTS; NEUROKININ ANTAGONIST | ZENECA LTD. (GB) | 1999-12-07 | — | — | US | disclosed |
| US-5710169-A | NEUROKININ ANTAGONISTS; ANTIHISTAMINES, BRONCHODILATOR AGENTS; ASTHMA | ZENECA LIMITED (GB) | 1998-01-20 | — | — | US | disclosed |
| EP-0709375-A2 | Therapeutic heterocycles | ZENECA LIMITED (GB) | 1996-05-01 | — | — | EP | disclosed |
| US-4845020-A | ANTIFOGGANT, SENSITIVITY | FUJI PHOTO FILM CO., LTD. (JP) | 1989-07-04 | — | — | US | disclosed |
| US-4816454-A | CARDIOVASCULAR DISORDERS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1989-03-28 | — | — | US | disclosed |
| EP-0175363-A2 | 4,5-Dihydro-3(2H)-pyridazinones, process for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1986-03-26 | — | — | EP | disclosed |
| EP-0175363-A2 | 4,5-Dihydro-3(2H)-pyridazinones, process for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1986-03-26 | — | — | EP | disclosed |