⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21477589 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL19131857 | 0.71 | PDE2A (0.30) | — | |
| SCHEMBL21481142 | 0.69 | KCNH2 (0.30) | — | |
| SCHEMBL21477617 | 0.69 | THRB (0.35) | — | |
| SCHEMBL22725528 | 0.68 | — | — | |
| SCHEMBL22725529 | 0.67 | XPO1 (0.32) | — | |
| SCHEMBL19287872 | 0.65 | THRB (0.32) | — | |
| SCHEMBL18237422 | 0.63 | — | — | |
| SCHEMBL21481137 | 0.62 | — | — | |
| SCHEMBL19130939 | 0.62 | — | — |
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-3838897-A2 | (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY | Shenzhen TargetRx, Inc. (CN) | 2021-06-23 | — | — | EP | disclosed |
| EP-3553056-A1 | (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY | Shenzhen Targetrx, Inc. (CN) | 2019-10-16 | — | — | EP | disclosed |