⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27593458 | 0.79 | — | — | |
| SCHEMBL10955651 | 0.78 | TP53 (0.36) | — | |
| SCHEMBL5541229 | 0.75 | — | — | |
| SCHEMBL8848440 | 0.75 | TP53 (0.44) | — | |
| SCHEMBL125061 | 0.75 | — | — | |
| SCHEMBL10804484 | 0.75 | TP53 (0.44) | — | |
| SCHEMBL2631496 | 0.75 | — | — | |
| SCHEMBL16160077 | 0.74 | TP53 (0.38) | — | |
| Chloroform SCHEMBL11265082 | 0.74 | LMNA (0.40) | — | |
| Chloroform SCHEMBL11179507 | 0.74 | LMNA (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |