⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8519403 | 0.77 | CTRC (0.37) | — | |
| SCHEMBL8520071 | 0.74 | GABRA1 (0.40) | — | |
| SCHEMBL8519453 | 0.69 | — | — | |
| SCHEMBL166573 | 0.68 | GABRA1 (0.41) | — | |
| SCHEMBL29619533 | 0.68 | GABRA1 (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL27539208 | 0.66 | GABRA1 (0.39) | — | |
| SCHEMBL5588780 | 0.66 | GABRA1 (0.35) | — | |
| SCHEMBL8600151 | 0.64 | PRKCI (0.33) | — | |
| SCHEMBL8519249 | 0.64 | MTNR1A (0.37) | — | |
| Ethylene SCHEMBL27502363 | 0.64 | GABRA1 (0.38) | — |
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 |