⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL328971 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL350814 | 0.73 | — | — | |
| SCHEMBL979387 | 0.73 | — | — | |
| SCHEMBL5361019 | 0.73 | — | — | |
| SCHEMBL349389 | 0.73 | — | — | |
| SCHEMBL349000 | 0.73 | — | — | |
| SCHEMBL28265695 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL2423501 | 0.72 | TSHR (0.46) | — | |
| SCHEMBL16960095 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL8880934 | 0.70 | KDM4E (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105646405-B | The preparation method of substituted adjacent amido benzonitrile compound, preparation method and Lapatinib | 凯莱英医药集团（天津）股份有限公司 | 2018-12-11 | — | — | CN | disclosed |
| US-9145354-B2 | Pharmaceutical compounds | ASTEX THERAPEUTICS LIMITED (GB) | 2015-09-29 | — | — | US | disclosed |
| US-20150051199-A1 | PHARMACEUTICAL COMPOUNDS | ASTEX THERAPEUTICS LIMITED (GB) | 2015-02-19 | — | — | US | disclosed |
| CN-102036561-A | Protein kinase modulators | CYLENE PHARMACEUTICALS INC | 2011-04-27 | — | — | CN | disclosed |
| CN-101528704-A | Serine-threonine protein kinase and PARP modulators | CYLENE PHARMACEUTICALS INC (US) | 2009-09-09 | — | — | CN | disclosed |
| US-5604225-A | DIETETICS; OBESITY | DR. KARL THOMAE GMBH (DE) | 1997-02-18 | — | — | US | disclosed |
| US-5457205-A | Substituted thiazoles useful for treatment of diabetes | DR. KARL THOMAE GMBH (DE) | 1995-10-10 | — | — | US | disclosed |
| US-5219852-A | Hypoglycemic agents, treatment of diabetes and obesity | DR. KARL THOMAE GMBH (DE) | 1993-06-15 | — | — | US | disclosed |
| US-4886814-A | LOWER BLOOD SUGAR | DR. KARL THOMAS GMBH (DE) | 1989-12-12 | — | — | US | disclosed |