⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL250332 | 0.84 | CYP2C9 (0.32) | — | |
| SCHEMBL9821209 | 0.78 | — | — | |
| SCHEMBL6996033 | 0.73 | CYP2C9 (0.38) | — | |
| SCHEMBL136714 | 0.69 | — | — | |
| SCHEMBL23926890 | 0.69 | — | — | |
| SCHEMBL204060 | 0.65 | — | — | |
| Adamantane SCHEMBL2394879 | 0.65 | CYP2C9 (0.38) | — | |
| SCHEMBL1008351 | 0.63 | — | — | |
| SCHEMBL11285839 | 0.63 | — | — | |
| SCHEMBL38528 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0804425-A2 | BENZODIAZEPINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-05 | — | — | EP | disclosed |
| WO-1996004254-A2 | BENZODIAZEPINE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-02-15 | — | — | WO | disclosed |