⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27413657 | 0.72 | LMNA (0.43) | — | |
| SCHEMBL18459188 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL11673691 | 0.69 | — | — | |
| SCHEMBL24026466 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL23651458 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL22305981 | 0.67 | CA12 (0.30) | — | |
| SCHEMBL19983267 | 0.67 | — | — | |
| SCHEMBL26316476 | 0.66 | — | — | |
| SCHEMBL11673828 | 0.65 | FDPS (0.34) | — | |
| SCHEMBL20400777 | 0.65 | — | — |
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-3681285-B1 | MICROBIOCIDAL QUINOLINE (THIO)CARBOXAMIDE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2021-11-17 | — | — | EP | disclosed |