⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24128717 | 0.86 | — | — | |
| SCHEMBL20883982 | 0.75 | ATM (0.35) | — | |
| SCHEMBL22725553 | 0.73 | — | — | |
| SCHEMBL22725559 | 0.73 | — | — | |
| SCHEMBL22778948 | 0.72 | HRH4 (0.30) | — | |
| SCHEMBL20884105 | 0.71 | TYR (0.36) | — | |
| SCHEMBL23137208 | 0.67 | PDE4A (0.37) | — | |
| SCHEMBL20751981 | 0.67 | KDM4E (0.33) | — | |
| SCHEMBL20884904 | 0.66 | DHFR (0.30) | — | |
| SCHEMBL24451654 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230227466-A1 | SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | SHY THERAPEUTICS, LLC | 2023-07-20 | — | — | US | disclosed |