⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26937821 | 0.75 | — | — | |
| SCHEMBL18874469 | 0.75 | — | — | |
| SCHEMBL12197802 | 0.67 | — | — | |
| SCHEMBL14757380 | 0.66 | — | — | |
| SCHEMBL22365098 | 0.66 | — | — | |
| SCHEMBL23266331 | 0.65 | — | — | |
| SCHEMBL19904961 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL23265523 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL11497202 | 0.65 | CHRM2 (0.30) | — | |
| SCHEMBL23945120 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2020132071-A1 | COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND F1BROTIC DISEASE | SHY THERAPEUTICS. LLC (US) | 2020-06-25 | — | — | WO | disclosed |