⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7932981 | 0.85 | — | — | |
| SCHEMBL7930421 | 0.82 | — | — | |
| SCHEMBL7927069 | 0.81 | CYP3A4 (0.32) | — | |
| SCHEMBL3731978 | 0.79 | — | — | |
| SCHEMBL7926972 | 0.79 | — | — | |
| SCHEMBL7928182 | 0.79 | — | — | |
| SCHEMBL5953141 | 0.78 | PDCD1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL3731980 | 0.78 | — | — | |
| SCHEMBL4479131 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL3731883 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1153938-A1 | CATALYST FOR STEREOREGULAR POLYMERIZATION OF ALPHA-OLEFIN AND PROCESS FOR PRODUCING STEREOREGULAR ALPHA-OLEFIN POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-11-14 | — | — | EP | disclosed |