⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7682477 | 0.77 | MAPK1 (0.33) | — | |
| SCHEMBL7100639 | 0.77 | MAPK1 (0.33) | — | |
| SCHEMBL1537901 | 0.73 | MAPK1 (0.31) | — | |
| SCHEMBL29072967 | 0.72 | — | — | |
| SCHEMBL28834601 | 0.71 | MAPK1 (0.30) | — | |
| SCHEMBL18282673 | 0.71 | MAPK1 (0.30) | — | |
| SCHEMBL28101979 | 0.71 | MAPK1 (0.30) | — | |
| SCHEMBL20135785 | 0.70 | THRB (0.35) | — | |
| SCHEMBL22117629 | 0.69 | OPRM1 (0.31) | — | |
| Fluoride SCHEMBL11792079 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104822724-A | Polyurethane, dispersions thereof, preparation and use thereof | BASF SE | 2015-08-05 | — | — | CN | disclosed |