⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1866696 | 0.59 | — | — | |
| SCHEMBL2203397 | 0.59 | — | — | |
| SCHEMBL376076 | 0.56 | — | — | |
| SCHEMBL9633073 | 0.56 | — | — | |
| SCHEMBL296587 | 0.56 | — | — | |
| SCHEMBL5805324 | 0.56 | — | — | |
| SCHEMBL2946532 | 0.54 | — | — | |
| SCHEMBL31410768 | 0.54 | — | — | |
| SCHEMBL7201661 | 0.54 | — | — | |
| SCHEMBL27908993 | 0.53 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0276101-A2 | Substituted peptide derivatives | ICI AMERICAS INC. (US) | 1988-07-27 | — | — | EP | disclosed |
| EP-0204571-A2 | Selected difluoro derivatives | ICI AMERICAS INC. (US) | 1986-12-10 | — | — | EP | disclosed |