⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13990705 | 0.72 | — | — | |
| SCHEMBL409307 | 0.72 | — | — | |
| SCHEMBL22661740 | 0.70 | CYP17A1 (0.33) | — | |
| SCHEMBL24097115 | 0.69 | — | — | |
| SCHEMBL16127382 | 0.69 | CYP3A4 (0.41) | — | |
| SCHEMBL14018992 | 0.69 | — | — | |
| SCHEMBL379200 | 0.68 | — | — | |
| SCHEMBL19085829 | 0.68 | — | — | |
| SCHEMBL16770291 | 0.68 | — | — | |
| SCHEMBL1760847 | 0.68 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020192562-A1 | SUBSTITUTED HETEROCYCLIC AMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF | 劲方医药科技(上海)有限公司 | 2020-10-01 | — | — | WO | disclosed |
| EP-3611165-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |
| US-20120083602-A1 | BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA | MILLENNIUM PHARMACEUTICALS, INC. | 2012-04-05 | — | — | US | disclosed |
| US-8063036-B2 | Benzamides and related inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100298284-A1 | BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA | MILLENNIUM PHARMACEUTICALS, INC. | 2010-11-25 | — | — | US | disclosed |
| US-7727981-B2 | monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-06-01 | — | — | US | disclosed |
| US-20090131411-A1 | monoamidino-containing compounds having good bioavailability and/or solubility, used as potent and specific inhibitors of blood coagulation in mammals, and as therapeutic agents for disease states characterized by coagulation disorders | MILLENNIUM PHARMACEUTICALS, INC. | 2009-05-21 | — | — | US | disclosed |