⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30643272 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL8773732 | 0.77 | CHRM1 (0.33) | — | |
| SCHEMBL9861525 | 0.73 | CHRM1 (0.36) | — | |
| SCHEMBL9316331 | 0.69 | CA1 (0.50) | — | |
| SCHEMBL11604570 | 0.68 | CES2 (0.39) | — | |
| SCHEMBL110158 | 0.68 | CA1 (0.52) | — | |
| SCHEMBL104701 | 0.68 | — | — | |
| SCHEMBL12559017 | 0.67 | CYP2C19 (0.43) | — | |
| SCHEMBL16791086 | 0.65 | CA1 (0.44) | — | |
| SCHEMBL6470540 | 0.65 | CES2 (0.36) | — |
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-0599906-A1 | HERBICIDES CONTAINING 3-AMINOBENZO B]THIOPHENES AS AN ANTIDOTE. | BASF AG (DE) | 1994-06-08 | — | — | EP | disclosed |