⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13064286 | 1.00 | — | — | |
| SCHEMBL12060991 | 1.00 | — | — | |
| SCHEMBL17273203 | 0.93 | — | — | |
| SCHEMBL3946881 | 0.93 | — | — | |
| SCHEMBL8111123 | 0.87 | — | — | |
| SCHEMBL482622 | 0.79 | — | — | |
| SCHEMBL4720982 | 0.79 | NOS2 (0.52) | — | |
| SCHEMBL17067966 | 0.77 | — | — | |
| SCHEMBL20377077 | 0.76 | — | — | |
| SCHEMBL20116554 | 0.76 | NOS2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3452466-B1 | HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC (US) | 2020-08-12 | — | — | EP | disclosed |