⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24128100 | 1.00 | — | — | |
| SCHEMBL24753521 | 1.00 | — | — | |
| SCHEMBL26041000 | 0.84 | KCNH2 (0.38) | — | |
| SCHEMBL24634067 | 0.84 | KCNH2 (0.38) | — | |
| SCHEMBL24634053 | 0.84 | KCNH2 (0.38) | — | |
| SCHEMBL27282447 | 0.81 | DRD2 (0.35) | — | |
| SCHEMBL23732162 | 0.81 | DRD2 (0.35) | — | |
| SCHEMBL12240852 | 0.81 | ROCK1 (0.41) | — | |
| SCHEMBL23987182 | 0.81 | ROCK1 (0.41) | — | |
| SCHEMBL24128135 | 0.80 | KCNH2 (0.37) | — |
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 |