⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8629751 | 0.83 | SPHK2 (0.48) | — | |
| SCHEMBL11133291 | 0.76 | — | — | |
| SCHEMBL10445709 | 0.76 | — | — | |
| SCHEMBL1161635 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5379756 | 0.74 | NLRP3 (0.33) | — | |
| SCHEMBL18412660 | 0.74 | — | — | |
| SCHEMBL23804917 | 0.73 | F2 (0.33) | — | |
| SCHEMBL1271853 | 0.72 | — | — | |
| SCHEMBL5840322 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL7610656 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3300500-B9 | TRIAZOLE AGONISTS OF THE APJ RECEPTOR | AMGEN INC (US) | 2021-01-13 | — | — | EP | disclosed |
| EP-3300500-B1 | TRIAZOLE AGONISTS OF THE APJ RECEPTOR | AMGEN INC (US) | 2020-02-26 | — | — | EP | disclosed |
| WO-2018097945-A1 | HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS | AMGEN INC. (US) | 2018-05-31 | — | — | WO | disclosed |