⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20189117 | 0.79 | APLNR (0.37) | — | |
| SCHEMBL20189120 | 0.79 | APLNR (0.37) | — | |
| SCHEMBL18493105 | 0.76 | APLNR (0.33) | — | |
| SCHEMBL20177980 | 0.72 | APLNR (0.38) | — | |
| SCHEMBL20168857 | 0.71 | APLNR (0.35) | — | |
| SCHEMBL20166344 | 0.71 | APLNR (0.35) | — | |
| SCHEMBL18247242 | 0.69 | APLNR (0.41) | — | |
| SCHEMBL10182085 | 0.68 | NOS3 (0.38) | — | |
| SCHEMBL5476 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL1763626 | 0.66 | CYP1A2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108137545-A | TRIAZOLE AGONISTS OF THE APJ RECEPTOR | 美国安进公司 | 2018-06-08 | — | — | CN | disclosed |