⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18560409 | 0.97 | EPHX1 (0.56) | — | |
| SCHEMBL18621827 | 0.97 | EPHX1 (0.56) | — | |
| SCHEMBL12993988 | 0.97 | EPHX1 (0.56) | — | |
| SCHEMBL4075630 | 0.92 | — | — | |
| Bicarbonate SCHEMBL29287941 | 0.89 | EPHX1 (0.59) | — | |
| SCHEMBL20542909 | 0.82 | CASP2 (0.67) | — | |
| SCHEMBL88539 | 0.81 | EPHX1 (0.54) | — | |
| Hydrochloric Acid SCHEMBL20542798 | 0.81 | CASP2 (0.65) | — | |
| SCHEMBL33565 | 0.80 | — | — | |
| SCHEMBL18751932 | 0.80 | EPHX1 (0.48) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0385038-B1 | ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM | The Boots Company PLC (GB) | 1993-06-02 | — | — | EP | claimed |
| EP-0385038-A1 | Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them | The Boots Company PLC (GB) | 1990-09-05 | — | — | EP | claimed |
| EP-3455279-B1 | UNIFORM SEQUENCE-DEFINED POLYURETHANES AND USES THEREOF AS MOLECULAR LABELS | CENTRE NAT RECH SCIENT (FR) | 2022-04-13 | — | — | EP | disclosed |
| US-20210347949-A1 | RENEWABLE POLYMERS AND RESINS AND METHODS OF MAKING THE SAME | UNITED STATES DEPARTMENT OF ENERGY | 2021-11-11 | — | — | US | disclosed |
| EP-3222614-B1 | BIGUANIDE COMPOUND AND USE THEREOF | IMMUNOMET THERAPEUTICS INC (US) | 2020-07-29 | — | — | EP | disclosed |
| WO-2017049383-A1 | LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | CYCLENIUM PHARMA INC. (CA) | 2017-03-30 | — | — | WO | disclosed |
| US-20140243254-A1 | Polymeric Hyperbranched Carrier-Linked Prodrugs | ASCENDIS PHARMA A/S (DK) | 2014-08-28 | — | — | US | disclosed |
| US-8324257-B2 | Mitotic kinesin inhibitors and methods of use thereof | ARRAY BIOPHARMA INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-8268871-B2 | Mitotic kinesin inhibitors and methods of use thereof | ARRAY BIOPHARMA INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20100331283-A1 | Mitotic kinesin inhibitors and methods of use thereof | ARRAY BIOPHARMA INC. (US) | 2010-12-30 | — | — | US | disclosed |
| US-20100041719-A1 | MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2010-02-18 | — | — | US | disclosed |
| EP-2121621-A1 | LXR AND FXR MODULATORS | Exelixis, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008073825-A1 | LXR AND FXR MODULATORS | EXELIXIS, INC. (US) | 2008-06-19 | — | — | WO | disclosed |
| WO-1996017612-A1 | USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA | KNOLL AKTIENGESELLSCHAFT (DE) | 1996-06-13 | — | — | WO | disclosed |
| US-5373008-A | Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents | THE BOOTS COMPANT PLC. (GB) | 1994-12-13 | — | — | US | disclosed |
| US-5223498-A | Hypoglycemic agents | THE BOOTS COMPANY PLC (GB) | 1993-06-29 | — | — | US | disclosed |
| EP-0385038-B1 | ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM | The Boots Company PLC (GB) | 1993-06-02 | — | — | EP | disclosed |
| EP-0385038-A1 | Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them | The Boots Company PLC (GB) | 1990-09-05 | — | — | EP | disclosed |