⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8519614 | 0.73 | CYP1A2 (0.32) | — | |
| SCHEMBL8519809 | 0.72 | — | — | |
| SCHEMBL8519580 | 0.65 | — | — | |
| SCHEMBL29463394 | 0.65 | NQO2 (0.37) | — | |
| SCHEMBL15339544 | 0.65 | — | — | |
| SCHEMBL15339500 | 0.65 | NQO2 (0.37) | — | |
| SCHEMBL120101 | 0.61 | TSHR (0.39) | — | |
| Hexamethylbenzene SCHEMBL10345657 | 0.58 | CYP3A4 (0.37) | — | |
| SCHEMBL814919 | 0.58 | CYP3A4 (0.37) | — | |
| SCHEMBL10411849 | 0.58 | CYP3A4 (0.37) | — |
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-0679662-B1 | Catalyst component for the polymerization of olefins | NIPPON OIL CO LTD (JP) | 1999-07-14 | — | — | EP | disclosed |
| US-5728641-A | Catalyst component for the polymerization of olefins | NIPPON OIL COMPANY, LIMITED (JP) | 1998-03-17 | — | — | US | disclosed |
| EP-0679662-A1 | Catalyst component for the polymerization of olefins | NIPPON OIL CO. LTD. (JP) | 1995-11-02 | — | — | EP | disclosed |