⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9147235 | 1.00 | — | — | |
| SCHEMBL9147243 | 1.00 | — | — | |
| SCHEMBL15684073 | 0.88 | CYP1A2 (0.36) | — | |
| SCHEMBL21725586 | 0.88 | CYP1A2 (0.36) | — | |
| SCHEMBL24325564 | 0.88 | CYP1A2 (0.36) | — | |
| SCHEMBL9149947 | 0.86 | CYP1A2 (0.34) | — | |
| SCHEMBL9149955 | 0.86 | CYP1A2 (0.34) | — | |
| SCHEMBL7556331 | 0.85 | CYP1A2 (0.37) | — | |
| SCHEMBL7556338 | 0.85 | CYP1A2 (0.37) | — | |
| SCHEMBL7556346 | 0.85 | CYP1A2 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0418362-B1 | TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-01-04 | — | — | EP | disclosed |
| US-5209868-A | Liquid crystal medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-11 | — | — | US | disclosed |
| EP-0418362-A1 | TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1991-03-27 | — | — | EP | disclosed |
| WO-1990012073-A1 | TRIFLUOROMETHYLCYCLOHEXANE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-10-18 | — | — | WO | disclosed |