⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10182085 | 0.78 | NOS3 (0.38) | — | |
| SCHEMBL20200471 | 0.76 | NOS3 (0.39) | — | |
| SCHEMBL24027167 | 0.75 | CYP1A2 (0.31) | — | |
| SCHEMBL4684450 | 0.75 | CYP1A2 (0.32) | — | |
| SCHEMBL30689635 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL20177980 | 0.71 | APLNR (0.38) | — | |
| SCHEMBL24297799 | 0.70 | — | — | |
| SCHEMBL20177680 | 0.69 | APLNR (0.35) | — | |
| SCHEMBL29412844 | 0.69 | — | — | |
| SCHEMBL5476 | 0.69 | — | — |
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-3541803-B1 | TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC (US) | 2020-12-23 | — | — | EP | disclosed |
| EP-3452466-B1 | HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC (US) | 2020-08-12 | — | — | EP | disclosed |