⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21926453 | 0.85 | CYP1A2 (0.31) | — | |
| SCHEMBL22725514 | 0.81 | — | — | |
| SCHEMBL18910654 | 0.76 | HRH4 (0.32) | — | |
| SCHEMBL21653566 | 0.75 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL23661913 | 0.75 | CXCR4 (0.34) | — | |
| SCHEMBL22725661 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL22333290 | 0.73 | — | — | |
| SCHEMBL29332959 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL25003875 | 0.71 | TSHR (0.41) | — | |
| SCHEMBL22255144 | 0.70 | AAK1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11091462-B2 | (Hetero)arylamide compound for inhibiting protein kinase activity | SHENZHEN TARGETRX, INC. (CN) | 2021-08-17 | — | — | US | disclosed |
| US-20200377473-A9 | (HETERO)ARYLAMIDE COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY | SHENZHEN TARGETRX, INC. (CN) | 2020-12-03 | — | — | US | disclosed |