⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10824332 | 0.85 | — | — | |
| SCHEMBL2334141 | 0.78 | — | — | |
| SCHEMBL1450693 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL8651465 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL30420102 | 0.73 | TSHR (0.30) | — | |
| Carbon Monoxide SCHEMBL8649579 | 0.72 | — | — | |
| Carbon Monoxide SCHEMBL8652271 | 0.72 | — | — | |
| SCHEMBL1462736 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL11208281 | 0.71 | — | — | |
| SCHEMBL3977096 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6825191-B2 | ANTICOAGULANT | AJINOMOTO CO., INC. (JP) | 2004-11-30 | — | — | US | disclosed |
| US-20030186969-A1 | Benzodiazepine derivatives | AJINOMOTO CO. INC (JP) | 2003-10-02 | — | — | US | disclosed |
| EP-1329450-A1 | BENZODIAZEPINE DERIVATIVE | Ajinomoto Co., Inc. (JP) | 2003-07-23 | — | — | EP | disclosed |
| EP-0987253-A1 | PYRAZOLONE DERIVATIVES | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 2000-03-22 | — | — | EP | disclosed |
| US-5968967-A | INHIBIT PLATELET AGGREGATION | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-19 | — | — | US | disclosed |