⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6122885 | 0.77 | — | — | |
| SCHEMBL21846946 | 0.75 | HTR2A (0.43) | — | |
| SCHEMBL7579046 | 0.75 | — | — | |
| SCHEMBL1266810 | 0.71 | — | — | |
| SCHEMBL2492680 | 0.71 | — | — | |
| SCHEMBL44897 | 0.71 | — | — | |
| SCHEMBL4595691 | 0.69 | TRPA1 (0.32) | — | |
| SCHEMBL9547880 | 0.69 | TSHR (0.43) | — | |
| SCHEMBL2120866 | 0.69 | — | — | |
| SCHEMBL17037332 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9611279-B2 | Zinc complex | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2017-04-04 | — | — | US | disclosed |
| US-8426441-B2 | Inhibitors of bruton's tyrosine kinase | ROCHE PALO ALTO LLC (US) | 2013-04-23 | — | — | US | disclosed |
| EP-2229390-A1 | NOVEL IMIDAZOÝ1,2-A¨PYRIDINE AND IMIDAZOÝ1,2-B¨PYRIDAZINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2010-09-22 | — | — | EP | disclosed |
| US-20090186898-A1 | Inhibitors of bruton's tyrosine kinase | ROCHE PALO ALTO LLC | 2009-07-23 | — | — | US | disclosed |
| WO-2009077334-A1 | NOVEL IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-25 | — | — | WO | disclosed |
| EP-0810199-B1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL CO (JP) | 2002-09-25 | — | — | EP | disclosed |
| US-5756769-A | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0810199-A1 | Method for producing propargylamine compounds | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-12-03 | — | — | EP | disclosed |