⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25807944 | 0.87 | — | — | |
| SCHEMBL17722548 | 0.87 | — | — | |
| SCHEMBL17718582 | 0.87 | — | — | |
| SCHEMBL17718587 | 0.87 | — | — | |
| SCHEMBL17718589 | 0.78 | — | — | |
| SCHEMBL17718588 | 0.78 | — | — | |
| Fluoride SCHEMBL11521122 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL9750732 | 0.76 | — | — | |
| SCHEMBL19142499 | 0.74 | — | — | |
| SCHEMBL13141355 | 0.73 | CYP2C19 (0.33) | — |
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-0284005-B1 | METHOD OF PRODUCTION OF POLYOLEFINS | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 1991-12-18 | — | — | EP | disclosed |
| US-4981930-A | POLYMERIZATION CATALYSTS | IDEMITSU PETROCHEMICAL COMPANY LIMITED (JP) | 1991-01-01 | — | — | US | disclosed |
| EP-0284005-A2 | Method of production of polyolefins | IDEMITSU PETROCHEMICAL CO. LTD. (JP) | 1988-09-28 | — | — | EP | disclosed |