⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6776221 | 0.82 | — | — | |
| SCHEMBL14255598 | 0.76 | — | — | |
| SCHEMBL6780773 | 0.74 | — | — | |
| SCHEMBL8106145 | 0.72 | CYP1A2 (0.42) | — | |
| SCHEMBL7337061 | 0.71 | CYP1A2 (0.38) | — | |
| SCHEMBL6775793 | 0.71 | — | — | |
| SCHEMBL30893105 | 0.69 | LMNA (0.38) | — | |
| SCHEMBL13196326 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL21195144 | 0.67 | CYP1A2 (0.38) | — | |
| SCHEMBL9787907 | 0.67 | CYP1A2 (0.38) | — |
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 3 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 |