⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20340262 | 0.77 | CYP1A2 (0.40) | — | |
| SCHEMBL26318080 | 0.77 | CYP1A2 (0.40) | — | |
| SCHEMBL29622006 | 0.71 | CYP1A2 (0.39) | — | |
| SCHEMBL20355505 | 0.71 | CYP1A2 (0.39) | — | |
| SCHEMBL20339039 | 0.69 | CYP1A2 (0.49) | — | |
| SCHEMBL20340282 | 0.64 | RAB9A (0.44) | — | |
| SCHEMBL20339000 | 0.63 | CYP1A2 (0.50) | — | |
| SCHEMBL20340271 | 0.63 | CYP1A2 (0.50) | — | |
| SCHEMBL29621922 | 0.63 | ROCK1 (0.48) | — | |
| SCHEMBL20340343 | 0.63 | ROCK1 (0.48) | — |
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-11174242-B2 | Heteroaryl compounds and their use | MINORYX THERAPEUTICS S.L. (ES) | 2021-11-16 | — | — | US | disclosed |