⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21477571 | 0.68 | — | — | |
| SCHEMBL14572406 | 0.57 | MAPT (0.42) | — | |
| SCHEMBL14050809 | 0.56 | — | — | |
| SCHEMBL17581115 | 0.56 | — | — | |
| SCHEMBL10271455 | 0.56 | KDM4E (0.42) | — | |
| SCHEMBL13811976 | 0.54 | — | — | |
| SCHEMBL12260190 | 0.54 | — | — | |
| SCHEMBL2614743 | 0.53 | HRH4 (0.33) | — | |
| SCHEMBL4235547 | 0.53 | — | — | |
| SCHEMBL8380266 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3553056-A1 | (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY | Shenzhen Targetrx, Inc. (CN) | 2019-10-16 | — | — | EP | disclosed |