⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26781888 | 0.70 | — | — | |
| SCHEMBL21477549 | 0.68 | — | — | |
| SCHEMBL24803727 | 0.67 | HTR2C (0.43) | — | |
| SCHEMBL10272062 | 0.64 | CDK5 (0.47) | — | |
| SCHEMBL10272451 | 0.64 | CDK5 (0.43) | — | |
| SCHEMBL19345849 | 0.63 | HDAC1 (0.32) | — | |
| SCHEMBL24197819 | 0.63 | CDK5 (0.46) | — | |
| SCHEMBL12826117 | 0.63 | CDK5 (0.46) | — | |
| SCHEMBL19304369 | 0.63 | HTR2C (0.41) | — | |
| SCHEMBL13165358 | 0.61 | GRM5 (0.37) | — |
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 |