⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22211139 | 0.84 | — | — | |
| SCHEMBL23005952 | 0.79 | — | — | |
| SCHEMBL18901443 | 0.72 | — | — | |
| SCHEMBL23934896 | 0.68 | — | — | |
| SCHEMBL24976763 | 0.68 | — | — | |
| SCHEMBL22251938 | 0.68 | — | — | |
| SCHEMBL23101940 | 0.68 | ALDH1A1 (0.47) | — | |
| SCHEMBL20685783 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL16609234 | 0.66 | — | — | |
| SCHEMBL18792697 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3680274-A1 | HYDROXYURETHANE (METH)ACRYLATE PREPOLYMERS FOR USE IN 3D PRINTING | BASF SE (DE) | 2020-07-15 | — | — | EP | disclosed |