⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9818588 | 0.82 | — | — | |
| SCHEMBL27748984 | 0.75 | — | — | |
| SCHEMBL10864134 | 0.75 | — | — | |
| SCHEMBL28200623 | 0.74 | — | — | |
| SCHEMBL3718094 | 0.74 | — | — | |
| SCHEMBL9905500 | 0.70 | — | — | |
| SCHEMBL6358962 | 0.65 | — | — | |
| SCHEMBL6032163 | 0.65 | — | — | |
| SCHEMBL31733896 | 0.64 | MAOA (0.32) | — | |
| SCHEMBL16938642 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101142252-B | Aromatic isocyanate compound containing (meth) acryloyl group and method for producing same | SHOWA DENKO KK | 2011-08-03 | — | — | CN | disclosed |
| CN-101142252-A | Aromatic isocyanate compound containing (meth) acryloyl group and method for producing same | SHOWA DENKO KK (JP) | 2008-03-12 | — | — | CN | disclosed |
| EP-1866357-A1 | (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF | Showa Denko K.K. (JP) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006103979-A1 | (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF | SHOWA DENKO K.K. (JP) | 2006-10-05 | — | — | WO | disclosed |