⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4185045 | 0.93 | — | — | |
| SCHEMBL514497 | 0.82 | — | — | |
| SCHEMBL8773938 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL4173351 | 0.72 | — | — | |
| SCHEMBL29282 | 0.72 | — | — | |
| SCHEMBL31299999 | 0.71 | TRPA1 (0.37) | — | |
| SCHEMBL77312 | 0.70 | CA1 (0.43) | — | |
| SCHEMBL157306 | 0.70 | CA1 (0.43) | — | |
| SCHEMBL2861027 | 0.70 | CA1 (0.43) | — | |
| SCHEMBL68307 | 0.70 | CA1 (0.43) | — |
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-5763437-A | Benzodiazepine derivatives | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-06-09 | — | — | US | disclosed |
| 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 |