⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22783114 | 0.82 | — | — | |
| SCHEMBL22986927 | 0.81 | SPHK2 (0.41) | — | |
| SCHEMBL18599927 | 0.80 | CA12 (0.31) | — | |
| SCHEMBL22824686 | 0.77 | OPRM1 (0.44) | — | |
| SCHEMBL25667496 | 0.75 | — | — | |
| SCHEMBL26934854 | 0.74 | — | — | |
| SCHEMBL4819351 | 0.70 | — | — | |
| SCHEMBL8200429 | 0.69 | — | — | |
| SCHEMBL14094679 | 0.69 | — | — | |
| SCHEMBL5051026 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0029169-B1 | POLYMERS AND PROCESS FOR THEIR PREPARATION | Agfa-Gevaert AG (DE) | 1983-05-18 | — | — | EP | disclosed |