⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7230695 | 1.00 | — | — | |
| SCHEMBL7228749 | 0.92 | TUBB1 (0.33) | — | |
| SCHEMBL7228753 | 0.92 | TUBB1 (0.33) | — | |
| SCHEMBL7228583 | 0.88 | TNNC1 (0.39) | — | |
| SCHEMBL7228587 | 0.88 | TNNC1 (0.39) | — | |
| SCHEMBL7231506 | 0.87 | DAO (0.37) | — | |
| SCHEMBL7231509 | 0.87 | DAO (0.37) | — | |
| SCHEMBL7239358 | 0.87 | NFE2L2 (0.35) | — | |
| SCHEMBL7239356 | 0.87 | NFE2L2 (0.35) | — | |
| SCHEMBL7228723 | 0.86 | TRPV4 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6623810-B2 | Refractive index anisotropy | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-09-23 | — | — | US | disclosed |
| US-20010050353-A1 | Phenylacetylene compound, liquid crystal composition, and liquid crystal element produced with the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-12-13 | — | — | US | disclosed |
| EP-0781827-B1 | Liquid crystal mixture and liquid crystal device comprising the same | SUMITOMO CHEMICAL CO (JP) | 2001-06-13 | — | — | EP | disclosed |
| US-6149837-A | SUBSTITUTED 1,4-BIS(SUBSTITUED PHENYLACETYLENE)BENZENE WHERE AT LEAST ONE RING HAS AN ALKYL ATTACHMENT, HAS A LARGE ANISOTROPY OF REFRACTIVE INDEX, TENDS TO BE MIXED WITH OTHER LIQUID CRYSTALS, IS LIGHT STABLE; LIQUID CRYSTAL ELEMENT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2000-11-21 | — | — | US | disclosed |
| US-5866035-A | LARGE BIREFRINGENCE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1999-02-02 | — | — | US | disclosed |
| EP-0781827-A1 | Liquid crystal mixture and liquid crystal device comprising the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1997-07-02 | — | — | EP | disclosed |