⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20008350 | 0.78 | — | — | |
| SCHEMBL13636868 | 0.50 | CYP1A2 (0.38) | — | |
| Methyl Alcohol SCHEMBL11401827 | 0.48 | CYP1A2 (0.43) | — | |
| SCHEMBL6881516 | 0.48 | OPRM1 (0.43) | — | |
| SCHEMBL18576167 | 0.48 | TSHR (0.37) | — | |
| SCHEMBL27960159 | 0.48 | HTR3A (0.39) | — | |
| SCHEMBL22788370 | 0.48 | CNR2 (0.39) | — | |
| SCHEMBL23718175 | 0.47 | TSHR (0.41) | — | |
| SCHEMBL6881515 | 0.47 | OPRM1 (0.43) | — | |
| SCHEMBL20428499 | 0.46 | HCAR3 (0.67) | — |
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-3299367-A1 | BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS | Novartis AG (CH) | 2018-03-28 | — | — | EP | disclosed |