⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9341039 | 0.90 | — | — | |
| SCHEMBL27338325 | 0.85 | — | — | |
| SCHEMBL24857313 | 0.84 | — | — | |
| SCHEMBL928141 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL27338334 | 0.81 | — | — | |
| SCHEMBL9337570 | 0.80 | — | — | |
| SCHEMBL2026387 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL9338171 | 0.77 | — | — | |
| SCHEMBL7757992 | 0.76 | — | — | |
| SCHEMBL27338311 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5004780-A | Polymerization initiator of unsaturated monomers and during agent for unsaturated polyester resin | NIPPON OIL AND FATS CO., LTD. (JP) | 1991-04-02 | — | — | US | claimed |
| EP-0332386-B1 | Cyclic monoperoxyketal | NIPPON OILS & FATS CO LTD (JP) | 1994-06-08 | — | — | EP | disclosed |
| US-5004780-A | Polymerization initiator of unsaturated monomers and during agent for unsaturated polyester resin | NIPPON OIL AND FATS CO., LTD. (JP) | 1991-04-02 | — | — | US | disclosed |
| EP-0332386-A2 | Cyclic monoperoxyketal | NIPPON OIL AND FATS COMPANY, LIMITED (JP) | 1989-09-13 | — | — | EP | disclosed |