⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6931857 | 0.84 | — | — | |
| SCHEMBL5881308 | 0.74 | — | — | |
| SCHEMBL9699667 | 0.72 | — | — | |
| SCHEMBL6937718 | 0.71 | — | — | |
| SCHEMBL2193982 | 0.67 | — | — | |
| SCHEMBL6934397 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL310640 | 0.65 | — | — | |
| SCHEMBL11319609 | 0.65 | LPAR3 (0.30) | — | |
| SCHEMBL7773058 | 0.65 | LPAR3 (0.30) | — | |
| SCHEMBL21487578 | 0.65 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0962445-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS INC (JP) | 2003-02-26 | — | — | EP | disclosed |
| EP-0992486-B1 | Tetralin compound, liquid crystal material, and liquid crystal composition | MITSUI CHEMICALS INC (JP) | 2002-11-20 | — | — | EP | disclosed |
| US-6217793-B1 | Acetylene compound, liquid crystal composition and liquid crystal element | MITSUI CHEMICALS, INC. (JP) | 2001-04-17 | — | — | US | disclosed |
| US-6117359-A | A FERROELECTRIC LIQUID CRYSTAL, AN ANTIFERROELECTRIC LIQUID CRYSTAL; OPERATING WIDE TEMPERATURE RANGE, A HIGH SWITCHING SPEED AND A SMALL CONSUMPTION OF ELECTRIC POWER, A STABLE CONTRAST | MITSUI CHEMICALS INC (JP) | 2000-09-12 | — | — | US | disclosed |
| EP-0992486-A2 | Tetralin compound, liquid crystal material, and liquid crystal composition | Mitsui Chemicals, Inc. (JP) | 2000-04-12 | — | — | EP | disclosed |
| EP-0962445-A1 | Acetylene compound, liquid crystal composition and liquid crystal element | Mitsui Chemicals, Inc. (JP) | 1999-12-08 | — | — | EP | disclosed |
| EP-0518636-A1 | Liquid crystal compounds and compositions | SANYO CHEMICAL INDUSTRIES LTD. (JP) | 1992-12-16 | — | — | EP | disclosed |
| EP-0517498-A1 | Liquid crystal compounds and compositions | SANYO CHEMICAL INDUSTRIES LTD. (JP) | 1992-12-09 | — | — | EP | disclosed |
| EP-0500210-A2 | Liquid crystal compounds and compositions | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 1992-08-26 | — | — | EP | disclosed |
| EP-0409634-A2 | Liquid crystal compounds and optically active compounds | SANYO CHEMICAL INDUSTRIES LTD. (JP) | 1991-01-23 | — | — | EP | disclosed |