⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL761439 | 0.70 | — | — | |
| SCHEMBL266971 | 0.65 | — | — | |
| SCHEMBL2667175 | 0.63 | — | — | |
| SCHEMBL6010064 | 0.63 | — | — | |
| SCHEMBL21389462 | 0.63 | CYP1A2 (0.32) | — | |
| SCHEMBL15491220 | 0.63 | CARM1 (0.43) | — | |
| SCHEMBL13764703 | 0.62 | — | — | |
| SCHEMBL14625026 | 0.61 | NOTUM (0.50) | — | |
| SCHEMBL783007 | 0.60 | — | — | |
| SCHEMBL2754730 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3470409-B1 | BENZOTRIAZOLE-DERIVED ALPHA AND BETA-UNSATURATED AMIDE COMPOUND USED AS TGF-BETA RI INHIBITOR | GENFLEET THERAPEUTICS SHANGHAI INC (CN) | 2020-02-12 | — | — | EP | disclosed |
| WO-2017215506-A1 | BENZOTRIAZOLE-DERIVED Α AND Β UNSATURATED AMIDE COMPOUND USED AS TGF-ΒR1 INHIBITOR | 南京明德新药研发股份有限公司 | 2017-12-21 | — | — | WO | disclosed |