⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4907217 | 0.77 | — | — | |
| SCHEMBL16071378 | 0.74 | — | — | |
| SCHEMBL3684844 | 0.72 | TSHR (0.44) | — | |
| SCHEMBL23419000 | 0.69 | — | — | |
| SCHEMBL9768960 | 0.69 | — | — | |
| SCHEMBL11239705 | 0.67 | — | — | |
| SCHEMBL9380704 | 0.67 | — | — | |
| SCHEMBL6025402 | 0.67 | — | — | |
| SCHEMBL13627864 | 0.65 | — | — | |
| SCHEMBL12315009 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4255196-A | A CURABLE DILUENT DESCRIBED AS THE MIXED ESTERS OF A POLYOL WITH MIXED NATURAL DRYING OIL FATTY ACIDS AND AN UNSATURATED ACYCLIC ACID | ROHM AND HAAS COMPANY (US) | 1981-03-10 | — | — | US | disclosed |
| US-4253397-A | COMPRISING A CURABLE LIQUID REACTIVE DILUENT WHICH IS A POLYUNSATURATED ESTER | ROHM AND HAAS COMPANY (US) | 1981-03-03 | — | — | US | disclosed |
| EP-0015147-A1 | Lithographic ink containing oxidatively curable reactive diluent and use thereof | ROHM AND HAAS COMPANY (US) | 1980-09-03 | — | — | EP | disclosed |