⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10359299 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL25290831 | 0.72 | PRKCA (0.37) | — | |
| SCHEMBL10359555 | 0.70 | IMPDH1 (0.36) | — | |
| SCHEMBL10359236 | 0.70 | IMPDH1 (0.36) | — | |
| SCHEMBL10359313 | 0.68 | PTGS1 (0.34) | — | |
| SCHEMBL17453508 | 0.65 | CYP3A4 (0.31) | — | |
| SCHEMBL14291719 | 0.65 | CYP3A4 (0.31) | — | |
| SCHEMBL3245958 | 0.65 | PRKCA (0.36) | — | |
| SCHEMBL13075610 | 0.63 | CYP1A2 (0.41) | — | |
| SCHEMBL15894815 | 0.60 | CYP1A2 (0.40) | — |
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-0213547-B1 | CYCLOHEXANEALKANOIC ACIDS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-12-27 | — | — | EP | claimed |