⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8747249 | 0.88 | SLC6A4 (0.32) | — | |
| SCHEMBL8747454 | 0.84 | — | — | |
| SCHEMBL8747382 | 0.82 | — | — | |
| SCHEMBL8747459 | 0.81 | GABRA1 (0.32) | — | |
| SCHEMBL8747455 | 0.81 | GABRA1 (0.32) | — | |
| SCHEMBL9058971 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL9056515 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL8082379 | 0.72 | ESR1 (0.42) | — | |
| SCHEMBL8979680 | 0.72 | ESR1 (0.42) | — | |
| SCHEMBL8082375 | 0.72 | ESR1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0585032-B1 | Anti-ferroelectric liquid crystal and liquid crystal display device | MITSUBISHI GAS CHEMICAL CO (JP) | 1997-03-05 | — | — | EP | disclosed |
| US-5340498-A | High speed response | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1994-08-23 | — | — | US | disclosed |
| EP-0585032-A1 | Anti-ferroelectric liquid crystal and liquid crystal display device | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1994-03-02 | — | — | EP | disclosed |