⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15618861 | 0.84 | SCN5A (0.30) | — | |
| SCHEMBL1458878 | 0.80 | KDM4E (0.33) | — | |
| SCHEMBL16186181 | 0.75 | L3MBTL1 (0.31) | — | |
| SCHEMBL11959960 | 0.71 | — | — | |
| SCHEMBL8070359 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL939745 | 0.67 | — | — | |
| SCHEMBL11455703 | 0.67 | — | — | |
| SCHEMBL12050713 | 0.67 | — | — | |
| SCHEMBL24810085 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL22950993 | 0.67 | ALDH1A1 (0.39) | — |
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-11155525-B2 | Azole derivatives as apelin receptor agonist | Sanford Burnham Prebys Medical Discovery Institute (US) | 2021-10-26 | — | — | US | disclosed |
| US-20200347022-A1 | NOVEL AZOLE DERIVATIVES AS APELIN RECEPTOR AGONIST | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2020-11-05 | — | — | US | disclosed |