⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL267768 | 0.77 | CYP3A4 (0.35) | — | |
| SCHEMBL28020960 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL11027439 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL280131 | 0.68 | HSP90AA1 (0.41) | — | |
| SCHEMBL12522489 | 0.68 | HSP90AA1 (0.41) | — | |
| SCHEMBL31164338 | 0.68 | CYP19A1 (0.48) | — | |
| SCHEMBL10405242 | 0.68 | CYP19A1 (0.48) | — | |
| SCHEMBL10405243 | 0.68 | CYP19A1 (0.48) | — | |
| SCHEMBL29587741 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL28820208 | 0.67 | ESR1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104710283-B | Cyclopentanol compound | 国际香料和香精公司 | 2019-06-11 | — | — | CN | disclosed |
| CN-104710283-A | Novel cyclopentanol compounds | INT FLAVORS & FRAGRANCES INC | 2015-06-17 | — | — | CN | disclosed |