⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9885435 | 0.80 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL15613909 | 0.73 | HTT (0.41) | — | |
| SCHEMBL905491 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL905490 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL905448 | 0.71 | TSHR (0.35) | — | |
| SCHEMBL1282758 | 0.71 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL4071211 | 0.71 | — | — | |
| SCHEMBL8928163 | 0.69 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL9534277 | 0.69 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL16983231 | 0.69 | SMN1; SMN2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115836073-A | 1- (5- (2-cyanopyridin-4-yl) oxazole-2-carbonyl) -4-methylhexahydropyrrolo [3,4-B ] pyrrole-5 (1H) -carbonitrile as a USP30 inhibitor for the treatment of mitochondrial dysfunction, cancer and fibrosis | 特殊治疗有限公司 | 2023-03-21 | — | — | CN | disclosed |