⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1642291 | 1.00 | — | — | |
| SCHEMBL6557289 | 0.81 | — | — | |
| SCHEMBL82184 | 0.81 | — | — | |
| SCHEMBL82185 | 0.81 | — | — | |
| SCHEMBL4077940 | 0.76 | — | — | |
| SCHEMBL6559555 | 0.76 | — | — | |
| SCHEMBL3155048 | 0.76 | CASP1 (0.31) | — | |
| SCHEMBL6559551 | 0.76 | — | — | |
| SCHEMBL3155054 | 0.76 | CASP1 (0.31) | — | |
| Butadiene SCHEMBL29209905 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110098351-A1 | Lactone compounds which can be used as antioxidant agents in pharmaceutical, cosmetic or food compositions and their method of preparation | COMMISSISSARIAT A L'ENERGIE ATOMIQUE | 2011-04-28 | — | — | US | disclosed |
| EP-1038877-B1 | Binaphthol monophosphoric acid derivative and its use | TOSOH CORP (JP) | 2004-03-10 | — | — | EP | disclosed |
| US-6274745-B1 | CATALYST | TOSOH CORPORATION (JP) | 2001-08-14 | — | — | US | disclosed |
| EP-1038877-A1 | Binaphthol monophosphoric acid derivative and its use | Tosoh Corporation (JP) | 2000-09-27 | — | — | EP | disclosed |
| US-5424320-A | Antihistamine, antiallergic, antiinflammatory and cytoprotective agents | MERCK FROSST CANADA, INC. (CA) | 1995-06-13 | — | — | US | disclosed |
| US-5360815-A | Heteroaryl cinnamic acids as inhibitors of leukotriene biosynthesis | MERCK FROSST CANADA, INC. (CA) | 1994-11-01 | — | — | US | disclosed |
| US-4472312-A | p-Nitrocarbobenzoxy naphthazarin | RESEARCH CORPORATION (US) | 1984-09-18 | — | — | US | disclosed |
| US-4415498-A | Synthesis of daunomycinone and the derivatives thereof | RESEARCH CORPORATION (US) | 1983-11-15 | — | — | US | disclosed |