⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8651337 | 1.00 | — | — | |
| SCHEMBL9067655 | 0.91 | SPHK1 (0.33) | — | |
| SCHEMBL8653311 | 0.91 | SPHK1 (0.33) | — | |
| SCHEMBL8649855 | 0.89 | — | — | |
| SCHEMBL9067503 | 0.89 | — | — | |
| SCHEMBL8646037 | 0.85 | CNR1 (0.32) | — | |
| SCHEMBL8653211 | 0.82 | OPRL1 (0.31) | — | |
| SCHEMBL8653215 | 0.82 | OPRL1 (0.31) | — | |
| SCHEMBL8647114 | 0.81 | — | — | |
| SCHEMBL8647116 | 0.81 | — | — |
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-0736513-A1 | 1-Fluorcyclohexene-difluorphenyl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1996-10-09 | — | — | EP | disclosed |