⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2308676 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL20442190 | 0.70 | — | — | |
| SCHEMBL19971991 | 0.68 | — | — | |
| SCHEMBL8340259 | 0.65 | GABRA1 (0.38) | — | |
| SCHEMBL24493595 | 0.58 | — | — | |
| SCHEMBL12912892 | 0.58 | — | — | |
| SCHEMBL5187808 | 0.58 | — | — | |
| SCHEMBL8330118 | 0.58 | — | — | |
| SCHEMBL17707915 | 0.58 | — | — | |
| SCHEMBL12096287 | 0.56 | GABRA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4882415-A | ELECTROCONDUCTIVE POLYMERS DOPED WITH OXIDIZING AGENTS | CIBA-GEIGY CORPORATION (US) | 1989-11-21 | — | — | US | disclosed |
| EP-0318430-A2 | Polyarylene sulphides | CIBA-GEIGY AG (CH) | 1989-05-31 | — | — | EP | disclosed |
| EP-0297037-A1 | Poly(arylensulfides) | CIBA-GEIGY AG (CH) | 1988-12-28 | — | — | EP | disclosed |