⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8842898 | 0.93 | SCN9A (0.32) | — | |
| SCHEMBL8843400 | 0.92 | — | — | |
| SCHEMBL7329444 | 0.92 | — | — | |
| SCHEMBL8842956 | 0.91 | MDM2 (0.32) | — | |
| SCHEMBL7332528 | 0.87 | MEN1 (0.30) | — | |
| SCHEMBL8842764 | 0.86 | SCN9A (0.33) | — | |
| SCHEMBL8843026 | 0.85 | MEN1 (0.31) | — | |
| SCHEMBL7323240 | 0.84 | SCN9A (0.32) | — | |
| SCHEMBL8843000 | 0.84 | MEN1 (0.32) | — | |
| SCHEMBL8842893 | 0.84 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5663166-A | ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING | GENENTECH, INC. (US) | 1997-09-02 | — | — | US | disclosed |