⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19624810 | 1.00 | — | — | |
| SCHEMBL968106 | 1.00 | — | — | |
| SCHEMBL13261994 | 1.00 | — | — | |
| SCHEMBL12199100 | 1.00 | — | — | |
| SCHEMBL11212507 | 0.86 | CA1 (0.54) | — | |
| Phthalic Acid SCHEMBL22283331 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL10811426 | 0.76 | CA1 (0.54) | — | |
| SCHEMBL1608535 | 0.74 | — | — | |
| SCHEMBL17113754 | 0.74 | — | — | |
| SCHEMBL14469700 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220098623-A1 | METHOD FOR PRODUCING (1R,3R)-3-(TRIFLUOROMETHYL)CYCLOHEXAN-1-OL AND INTERMEDIATE THEREOF | API CORPORATION (JP) | 2022-03-31 | — | — | US | disclosed |
| US-9585884-B2 | Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 | AUSPEX PHARMACEUTICALS, INC. (US) | 2017-03-07 | — | — | US | disclosed |