⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9052289 | 1.00 | — | — | |
| SCHEMBL50645 | 1.00 | — | — | |
| SCHEMBL9780486 | 0.78 | — | — | |
| SCHEMBL10584184 | 0.78 | — | — | |
| SCHEMBL8890182 | 0.78 | — | — | |
| SCHEMBL10789672 | 0.75 | — | — | |
| SCHEMBL9780441 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL9780438 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL7864038 | 0.73 | — | — | |
| SCHEMBL9780517 | 0.72 | SMN1; SMN2 (0.36) | — |
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-4988460-A | HYDROGEN BONDED ADDITION POLYMERS, POLYCARBONATES, POLYESTERS, OR POLYAMIDES, AROMATIC ESTER DERIVATIVES AS LIQUID CRYSTALS | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1991-01-29 | — | — | US | disclosed |
| EP-0310081-A2 | A ferroelectric liquid-crystalline polymeric composition | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1989-04-05 | — | — | EP | disclosed |