⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1649060 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL27489282 | 0.72 | — | — | |
| SCHEMBL11667029 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL4908709 | 0.72 | P2RX4 (0.31) | — | |
| SCHEMBL3760901 | 0.69 | CES2 (0.31) | — | |
| SCHEMBL11276030 | 0.68 | MAOB (0.34) | — | |
| SCHEMBL11709141 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL9565455 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL11882961 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL9527213 | 0.68 | LMNA (0.31) | — |
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-5962450-A | SEDATIVE | HOFFMANN-LA ROCHE INC. (US) | 1999-10-05 | — | — | US | disclosed |
| US-5885986-A | CLEAVING, N-ALKYLATING AND REDUCING THE INTERMEDIATE FORMED BY REACTING AN OXAZOLYL AND THIAZOLYLIMIDAZOBENZO AND THIENODIAZEPINE DERIVATIVES WITH AMINE COMPOUNDS; USED AS ANXIOLYTIC AND ANTICONVULSANT OR SEDATIVE-HYPNOTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1999-03-23 | — | — | US | disclosed |
| CN-1036995-C | Imidazodiazepine | HOFFMANN LA ROCHE (CH) | 1998-01-14 | — | — | CN | disclosed |