⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11548915 | 0.98 | — | — | |
| SCHEMBL8670072 | 0.87 | USP2 (0.33) | — | |
| SCHEMBL11105494 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL10527450 | 0.82 | OPRM1 (0.39) | — | |
| SCHEMBL9169634 | 0.81 | DNM1 (0.32) | — | |
| SCHEMBL2229053 | 0.81 | HTT (0.38) | — | |
| SCHEMBL28981673 | 0.80 | MEN1 (0.32) | — | |
| SCHEMBL28981672 | 0.79 | HTT (0.35) | — | |
| SCHEMBL18766373 | 0.79 | HTT (0.35) | — | |
| SCHEMBL4921506 | 0.78 | DNM1 (0.47) | — |
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-0434297-B1 | Optically active aromatic compounds, preparation process thereof, and liquid crystal compositions and elements | SUMITOMO CHEMICAL CO (JP) | 1996-10-16 | — | — | EP | disclosed |
| US-5238598-A | Having trifluoromethyl group; high speed response | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-08-24 | — | — | US | disclosed |
| EP-0434297-A2 | Optically active aromatic compounds, preparation process thereof, and liquid crystal compositions and elements | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-06-26 | — | — | EP | disclosed |