⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL62115 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL62114 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL6903406 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL60817 | 0.70 | — | — | |
| SCHEMBL28661207 | 0.67 | — | — | |
| SCHEMBL1524546 | 0.67 | — | — | |
| SCHEMBL204351 | 0.66 | — | — | |
| SCHEMBL8586609 | 0.65 | — | — | |
| SCHEMBL1525532 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL1534058 | 0.65 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6413448-B1 | ESTERS; DOPANTS; LONGER CHIRAL SMECTIC PHASE PITCH; HIGHER TILT ANGLE; LOWER VISCOSITY; CRYSTALLIZATION SUPPRESSION; IMPROVED SOLUBILITY; BROADER C* PHASE TEMPERATURE RANGE | DISPLAYTECH, INC. | 2002-07-02 | — | — | US | disclosed |
| WO-2000065801-A9 | CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE | DISPLAYTECH INC (US) | 2001-04-12 | — | — | WO | disclosed |
| WO-2000065801-A1 | CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE | DISPLAYTECH, INC. (US) | 2000-11-02 | — | — | WO | disclosed |