⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1132535 | 0.80 | HMGCR (0.44) | — | |
| SCHEMBL1454489 | 0.76 | — | — | |
| SCHEMBL1131763 | 0.76 | HMGCR (0.43) | — | |
| SCHEMBL1131758 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL451570 | 0.75 | — | — | |
| SCHEMBL1131819 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL3697711 | 0.74 | HMGCR (0.42) | — | |
| SCHEMBL1419066 | 0.72 | HMGCR (0.52) | — | |
| SCHEMBL276451 | 0.72 | — | — | |
| SCHEMBL1335602 | 0.72 | HMGCR (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101084186-B | Isocyanate compound and process for producing the same, and reactive monomer, reactive (meth)acrylate polymer and its use | SHOWA DENKO KK | 2011-05-11 | — | — | CN | disclosed |
| EP-1812381-B1 | ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE | SHOWA DENKO KK (JP) | 2011-02-16 | — | — | EP | disclosed |
| US-7579066-B2 | Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth) acrylate polymer and its use | SHOWA DENKO K.K. (JP) | 2009-08-25 | — | — | US | disclosed |
| US-20080132597-A1 | Ethylenically Unsaturated Group-Containing Isocyanate Compound and Process for Producing the Same, and Reactive Monomer, Reactive (Meth) Acrylate Polymer and its Use | RESONAC CORPORATION (JP) | 2008-06-05 | — | — | US | disclosed |
| CN-101084186-A | Ethylenically unsaturated group-containing isocyanate compound and process for producing the same, and reactive monomer, reactive (meth)acrylate polymer and its use | SHOWA DENKO KK (JP) | 2007-12-05 | — | — | CN | disclosed |