⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9229849 | 0.73 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL9232054 | 0.73 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL4622031 | 0.69 | — | — | |
| SCHEMBL1936757 | 0.60 | — | — | |
| SCHEMBL23097435 | 0.57 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL11080240 | 0.57 | — | — | |
| SCHEMBL431549 | 0.57 | — | — | |
| SCHEMBL19125529 | 0.57 | — | — | |
| SCHEMBL14385449 | 0.57 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL11298975 | 0.57 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0648769-A1 | 12-Hetero-substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizium salts and compositions and method of use thereof | STERLING WINTHROP INC. (US) | 1995-04-19 | — | — | EP | disclosed |
| US-5380729-A | Treatment or prevention of neurodegenerative disorders or neurotoxic injuries | STERLING WINTHROP INC. (US) | 1995-01-10 | — | — | US | disclosed |
| US-4466903-A | Unsaturated 1,3-dioxolane stabilized with aliphatic aldehyde hydrazone | PPG INDUSTRIES, INC. (US) | 1984-08-21 | — | — | US | disclosed |
| US-4418231-A | ACID ACCEPTING 2-ALKYLIDENE-1,3-DIOXOLANES IN TRICHLOROETHYLENE AND/OR METHYLCHLOROFORM | PPG INDUSTRIES, INC. (US) | 1983-11-29 | — | — | US | disclosed |