⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9700189 | 0.91 | CHIT1 (0.31) | — | |
| SCHEMBL9701435 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL9701397 | 0.86 | CA1 (0.33) | — | |
| SCHEMBL9702700 | 0.73 | SIGMAR1 (0.33) | — | |
| SCHEMBL7905465 | 0.64 | SIGMAR1 (0.32) | — | |
| SCHEMBL9701097 | 0.60 | SIGMAR1 (0.34) | — | |
| SCHEMBL7902351 | 0.59 | OPRM1 (0.34) | — | |
| SCHEMBL9701099 | 0.57 | PTAFR (0.34) | — | |
| SCHEMBL32677040 | 0.57 | OPRM1 (0.50) | — | |
| SCHEMBL7904440 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1992013860-A1 | NEW 4,5,6,7-TETRAHYDRO-IMIDAZO-[4,5,lJK][1,4]-BENZODIAZEPINE-2-(1H)-THIONES, A METHOD OF PREPARING THEM AS WELL AS DRUGS CONTAINING THEM, AND INTERMEDIATES FOR THE PREPARATION OF THESE COMPOUNDS | BOEHRINGER MANNHEIM GMBH (DE) | 1992-08-20 | — | — | WO | disclosed |