⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8795211 | 1.00 | — | — | |
| SCHEMBL8795630 | 1.00 | — | — | |
| SCHEMBL18285151 | 0.79 | TRPA1 (0.34) | — | |
| SCHEMBL18285152 | 0.79 | TRPA1 (0.34) | — | |
| SCHEMBL20280526 | 0.76 | — | — | |
| SCHEMBL18285088 | 0.76 | — | — | |
| SCHEMBL18285087 | 0.76 | — | — | |
| SCHEMBL18285017 | 0.74 | HIF1A (0.35) | — | |
| SCHEMBL18285038 | 0.73 | TRPA1 (0.31) | — | |
| SCHEMBL18285036 | 0.73 | TRPA1 (0.31) | — |
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-0671378-B1 | Process for the preparation of (1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl-methylketone, its derivatives and stereoisomers | BASF AG (DE) | 1997-01-29 | — | — | EP | disclosed |
| EP-0671378-A1 | Process for the preparation of (1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl-methylketone, its derivatives and stereoisomers | BASF AKTIENGESELLSCHAFT (DE) | 1995-09-13 | — | — | EP | disclosed |