⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22618121 | 0.77 | GABRR1 (0.45) | — | |
| SCHEMBL22618122 | 0.77 | GABRR1 (0.45) | — | |
| SCHEMBL23706930 | 0.75 | ABAT (0.47) | — | |
| SCHEMBL11651562 | 0.74 | GABRR1 (0.41) | — | |
| SCHEMBL57284 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL23699848 | 0.73 | ABAT (0.46) | — | |
| SCHEMBL8041722 | 0.70 | OAT (0.60) | — | |
| SCHEMBL22618120 | 0.69 | GABRR1 (0.47) | — | |
| SCHEMBL6566521 | 0.69 | GABRR1 (0.47) | — | |
| SCHEMBL6566527 | 0.69 | GABRR1 (0.47) | — |
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-3541804-A1 | CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | Amgen Inc. (US) | 2019-09-25 | — | — | EP | disclosed |
| WO-2018093577-A1 | CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2018-05-24 | — | — | WO | disclosed |