⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7287279 | 0.74 | TBXAS1 (0.31) | — | |
| SCHEMBL2105621 | 0.72 | — | — | |
| SCHEMBL2994320 | 0.65 | — | — | |
| SCHEMBL8848238 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL333208 | 0.64 | — | — | |
| SCHEMBL3733743 | 0.62 | LTA4H (0.34) | — | |
| SCHEMBL38918 | 0.61 | — | — | |
| SCHEMBL8791559 | 0.57 | — | — | |
| SCHEMBL9114146 | 0.39 | — | — | |
| SCHEMBL179702 | 0.39 | — | — |
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 317 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107118170-B | Preparation method of azoxytetrazole | 北京理工大学 | 2020-01-07 | — | — | CN | claimed |
| US-9018175-B2 | 3,4,4a,10b-Tetrahydro-1H-thiopyrano-[44,3-c] isoquinoline derivatives | TAKEDA GMBH (DE) | 2015-04-28 | — | — | US | claimed |
| EP-2513119-B1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-C]ISOQUINOLINE DERIVATIVES | TAKEDA GMBH (DE) | 2014-06-25 | — | — | EP | claimed |
| US-20120289474-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4,3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2012-11-15 | — | — | US | claimed |
| EP-2513119-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES | Nycomed GmbH (DE) | 2012-10-24 | — | — | EP | claimed |
| US-8119563-B2 | N-substituted azacycles | FMC CORPORATION (US) | 2012-02-21 | — | — | US | claimed |
| WO-2011073231-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2011-06-23 | — | — | WO | claimed |
| US-20090227555-A2 | Novel Pyridine Compounds | ASTRAZENECA AB (SE) | 2009-09-10 | — | — | US | claimed |
| US-20090215821-A1 | N-Substituted Azacycles | FMC CORPORATION | 2009-08-27 | — | — | US | claimed |
| US-7501445-B2 | Imidazolidinone compounds | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2009-03-10 | — | — | US | claimed |
| EP-0971901-B1 | PHTHALAZINONES | ALTANA PHARMA AG (DE) | 2003-02-26 | — | — | EP | claimed |
| WO-2002022630-A1 | PURINE DERIVATIVES | PFIZER LIMITED (GB) | 2002-03-21 | — | — | WO | claimed |
| US-H1996-H1 | AGRICULTURE | FMC CORPORATION | 2001-10-02 | — | — | US | claimed |
| US-6103718-A | Phthalazinones | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-08-15 | — | — | US | claimed |
| WO-2000031034-A1 | INSECTICIDAL PHOTOSTABLE ACID SALT DERIVATIVES OF N-BENZYL-4-BENZHYDROLPIPERIDINES | FMC CORPORATION (US) | 2000-06-02 | — | — | WO | claimed |
| US-H1838-H | MITICIDES | FMC CORPORATION | 2000-02-01 | — | — | US | claimed |
| EP-0971901-A1 | PHTHALAZINONES | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 2000-01-19 | — | — | EP | claimed |
| WO-1998031674-A1 | PHTHALAZINONES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1998-07-23 | — | — | WO | claimed |
| US-5217975-A | AZABICYCLIC COMPOUNDS FOR TREATING DEMENTIA | BEECHAM GROUP P.L.C. (GB) | 1993-06-08 | — | — | US | claimed |
| EP-0402056-A2 | Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them | Beecham Group p.l.c. (GB) | 1990-12-12 | — | — | EP | claimed |