⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1648616 | 0.61 | — | — | |
| SCHEMBL6778105 | 0.59 | — | — | |
| SCHEMBL13055323 | 0.58 | — | — | |
| SCHEMBL3614503 | 0.50 | — | — | |
| Cyclohexene SCHEMBL20572957 | 0.48 | — | — | |
| Cyclohexane SCHEMBL9860777 | 0.42 | — | — | |
| Benzene SCHEMBL5426394 | 0.42 | TP53 (0.43) | — | |
| Cyclohexane SCHEMBL434093 | 0.42 | — | — | |
| Carbimide SCHEMBL1235 | 0.42 | — | — | |
| Carbimide SCHEMBL8379420 | 0.42 | — | — |
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 6 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 | claimed |
| US-20030186969-A1 | Benzodiazepine derivatives | AJINOMOTO CO. INC (JP) | 2003-10-02 | — | — | US | claimed |
| EP-1329450-A1 | BENZODIAZEPINE DERIVATIVE | Ajinomoto Co., Inc. (JP) | 2003-07-23 | — | — | EP | claimed |
| 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 |