⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL546983 | 0.90 | — | — | |
| SCHEMBL694723 | 0.88 | ALDH1A1 (0.41) | — | |
| SCHEMBL533230 | 0.88 | BCL2L1 (0.35) | — | |
| SCHEMBL27338776 | 0.86 | ALOX5 (0.40) | — | |
| SCHEMBL23165732 | 0.84 | MAPT (0.46) | — | |
| SCHEMBL5967311 | 0.84 | MAOA (0.40) | — | |
| SCHEMBL433164 | 0.84 | ALOX5 (0.42) | — | |
| SCHEMBL6017910 | 0.84 | MCL1 (0.39) | — | |
| SCHEMBL6402089 | 0.84 | TAAR1 (0.48) | — | |
| SCHEMBL1491004 | 0.84 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6197217-B1 | EXHIBIT A NEGATIVE DIELECTRIC ANISOTROPY VALUE, HAVE AN EXTREMELY HIGH VOLTAGE HOLDING RATIO AND A LOW THRESHOLD VOLTAGE, SMALL DEPENDENCY ON TEMPERATURE, HARDLY EXHIBIT SMECTIC PHASE; EXCELLENT IN MISCIBILITY WITH OTHER LC'S | CHISSO CORPORATION (JP) | 2001-03-06 | — | — | US | disclosed |
| EP-0959061-A1 | 3,3'-DIFLUOROBIPHENYL DERIVATIVES, LIQUID CRYSTAL COMPOSITIONS, AND LIQUID CRYSTAL DISPLAY ELEMENTS | CHISSO CORPORATION (JP) | 1999-11-24 | — | — | EP | disclosed |