⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL82660 | 0.82 | CYP2C19 (0.30) | — | |
| SCHEMBL10601733 | 0.77 | CYP2C19 (0.37) | — | |
| SCHEMBL4293645 | 0.76 | — | — | |
| SCHEMBL9868411 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL29262309 | 0.75 | — | — | |
| SCHEMBL22069992 | 0.73 | — | — | |
| SCHEMBL6655051 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL15301992 | 0.70 | BLM (0.31) | — | |
| SCHEMBL20232410 | 0.69 | — | — | |
| SCHEMBL839656 | 0.69 | — | — |
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-0461767-B1 | Polymeric peroxide, polymerization initiator and method for production of block copolymer | NIPPON OILS & FATS CO LTD (JP) | 1996-08-14 | — | — | EP | disclosed |
| US-5258465-A | Protective coatings | NIPPON OIL & FATS CO., LTD. (JP) | 1993-11-02 | — | — | US | disclosed |
| EP-0461767-A2 | Polymeric peroxide, polymerization initiator and method for production of block copolymer | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1991-12-18 | — | — | EP | disclosed |