⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2873513 | 0.51 | — | — | |
| SCHEMBL16359805 | 0.50 | — | — | |
| SCHEMBL20443699 | 0.50 | — | — | |
| SCHEMBL17539384 | 0.46 | — | — | |
| SCHEMBL123424 | 0.46 | — | — | |
| SCHEMBL18567094 | 0.46 | — | — | |
| SCHEMBL13225368 | 0.46 | — | — | |
| SCHEMBL7691657 | 0.46 | — | — | |
| SCHEMBL12948673 | 0.46 | — | — | |
| SCHEMBL11615305 | 0.43 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018070536-A1 | POLYISOCYANATE COMPOSITION, BLOCK POLYISOCYANATE COMPOSITION, HYDROPHILIC POLYISOCYANATE COMPOSITION, COATING MATERIAL COMPOSITION, AND COATING FILM | 旭化成株式会社 | 2018-04-19 | — | — | WO | disclosed |