⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14364783 | 1.00 | — | — | |
| SCHEMBL13300115 | 1.00 | — | — | |
| SCHEMBL1439871 | 1.00 | — | — | |
| SCHEMBL12570098 | 0.89 | — | — | |
| SCHEMBL12570097 | 0.89 | — | — | |
| SCHEMBL29066928 | 0.86 | PTGS1 (0.31) | — | |
| SCHEMBL17766094 | 0.86 | PTGS1 (0.31) | — | |
| SCHEMBL17766129 | 0.84 | PPM1B (0.30) | — | |
| SCHEMBL10033891 | 0.84 | — | — | |
| SCHEMBL20105063 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2236569-A2 | Nonaqueous ink, ink set, image-forming method, image-forming apparatus and recorded article | Fujifilm Corporation (JP) | 2010-10-06 | — | — | EP | disclosed |
| EP-1383470-B1 | HAIR TREATMENT COMPOSITIONS | UNILEVER PLC (GB) | 2009-06-17 | — | — | EP | disclosed |