⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11895145 | 0.89 | — | — | |
| SCHEMBL953920 | 0.74 | COMT (0.36) | — | |
| SCHEMBL954403 | 0.70 | GAA (0.36) | — | |
| SCHEMBL18580413 | 0.70 | — | — | |
| SCHEMBL2634723 | 0.64 | CREBBP (0.31) | — | |
| SCHEMBL18580051 | 0.64 | GSR (0.32) | — | |
| SCHEMBL27241794 | 0.62 | ENPP2 (0.33) | — | |
| SCHEMBL31189720 | 0.61 | KDM4C (0.33) | — | |
| SCHEMBL1953951 | 0.60 | — | — | |
| SCHEMBL15199518 | 0.60 | COMT (0.32) | — |
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-3386980-B1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC (US) | 2021-10-13 | — | — | EP | disclosed |