⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL297925 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL28219599 | 0.78 | SMPD1 (0.36) | — | |
| SCHEMBL9625652 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL9576868 | 0.77 | TSHR (0.44) | — | |
| SCHEMBL7445172 | 0.77 | TSHR (0.44) | — | |
| SCHEMBL1230225 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL9625864 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL8901964 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL9850241 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL11605274 | 0.72 | OPRM1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0273090-B1 | SOLUTION POLYMERIZATION OF ACRYLIC ACID DERIVED MONOMERS USING TERTIARY ALKYL( C5)-HYDROPEROXIDES | ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) | 1992-03-18 | — | — | EP | claimed |
| US-4777230-A | HIGH SOLID COATINGS | PENNWALT CORPORATION (US) | 1988-10-11 | — | — | US | claimed |
| EP-0273090-A1 | Solution polymerization of acrylic acid derived monomers using tertiary alkyl( C5)-hydroperoxides | ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) | 1988-07-06 | — | — | EP | claimed |
| EP-0273090-B1 | SOLUTION POLYMERIZATION OF ACRYLIC ACID DERIVED MONOMERS USING TERTIARY ALKYL( C5)-HYDROPEROXIDES | ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) | 1992-03-18 | — | — | EP | disclosed |
| US-4404319-A | UNSATURATED POLYESTER, MALEIC ANHYDRIDE, UNSATD COMPOUND, CURABLE | UNION CARBIDE CORPORATION (US) | 1983-09-13 | — | — | US | disclosed |