⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7200668 | 0.72 | ALDH1A1 (0.43) | — | |
| SCHEMBL9601465 | 0.69 | — | — | |
| SCHEMBL10934277 | 0.69 | — | — | |
| SCHEMBL5720505 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL5720429 | 0.64 | PKM (0.37) | — | |
| SCHEMBL1076090 | 0.64 | — | — | |
| SCHEMBL7285552 | 0.61 | — | — | |
| SCHEMBL5447913 | 0.61 | TAAR1 (0.46) | — | |
| SCHEMBL1862349 | 0.60 | — | — | |
| SCHEMBL17422016 | 0.59 | USP2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0042354-B1 | IMIDAZOBENZOTHIADIAZEPINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | CIBA-GEIGY AG (CH) | 1985-12-11 | — | — | EP | disclosed |