⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8448070 | 1.00 | — | — | |
| SCHEMBL8447974 | 0.77 | — | — | |
| SCHEMBL21180883 | 0.73 | CES2 (0.43) | — | |
| SCHEMBL8453400 | 0.70 | — | — | |
| SCHEMBL8150591 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL8453405 | 0.70 | — | — | |
| SCHEMBL9720381 | 0.69 | — | — | |
| SCHEMBL20993361 | 0.69 | — | — | |
| SCHEMBL1445938 | 0.69 | — | — | |
| SCHEMBL8452514 | 0.66 | LMNA (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0688752-B1 | Trifluoro-2-(trans-4-substituted cyclohexyl) ethylenes and process for their production | ASAHI GLASS CO LTD (JP) | 1999-01-13 | — | — | EP | disclosed |
| US-5621147-A | LIQUID CRYSTAL INTERMEDIATES | ASAHI GLASS COMPANY LTD. (JP) | 1997-04-15 | — | — | US | disclosed |
| EP-0688752-A1 | Trifluoro-2-(trans-4-substituted cyclohexyl) ethylenes and process for their production | ASAHI GLASS COMPANY LTD. (JP) | 1995-12-27 | — | — | EP | disclosed |