⚠ 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL10707146 | 0.78 | CYP3A4 (0.31) | — | |
| SCHEMBL10707906 | 0.78 | CYP3A4 (0.31) | — | |
| SCHEMBL10603446 | 0.76 | HSD17B10 (0.33) | — | |
| SCHEMBL4616111 | 0.76 | CYP1A2 (0.34) | — | |
| SCHEMBL9006690 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL8454517 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL8454508 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL8219434 | 0.73 | CYP1A2 (0.50) | — | |
| SCHEMBL714223 | 0.72 | — | — | |
| SCHEMBL28761260 | 0.70 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-9110734-A | — | — | None | — | — | JP | disclosed |
| JP-H09110734-A | TERCYCLOHEXANE COMPOUND, LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | CHISSO CORP | 1997-04-28 | — | — | JP | disclosed |