⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27891074 | 0.81 | — | — | |
| SCHEMBL27932992 | 0.81 | — | — | |
| SCHEMBL4083879 | 0.81 | — | — | |
| SCHEMBL7932983 | 0.77 | CYP19A1 (0.31) | — | |
| SCHEMBL7930435 | 0.77 | CYP19A1 (0.31) | — | |
| SCHEMBL7949162 | 0.73 | — | — | |
| SCHEMBL27448383 | 0.72 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL714557 | 0.71 | CYP11B1 (0.34) | — | |
| SCHEMBL29008132 | 0.71 | HTR2A (0.34) | — | |
| Fluoride Ion SCHEMBL1539745 | 0.71 | ALDH1A1 (0.32) | — |
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 |