⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1755257 | 0.75 | — | — | |
| SCHEMBL4947866 | 0.72 | — | — | |
| SCHEMBL20860331 | 0.72 | — | — | |
| SCHEMBL23838410 | 0.59 | — | — | |
| SCHEMBL7740681 | 0.59 | — | — | |
| SCHEMBL29160262 | 0.59 | — | — | |
| SCHEMBL2419786 | 0.56 | — | — | |
| SCHEMBL22072745 | 0.56 | — | — | |
| SCHEMBL28096281 | 0.55 | — | — | |
| SCHEMBL1400956 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9745286-B2 | Triazole agonists of the APJ receptor | AMGEN INC. (US) | 2017-08-29 | — | — | US | disclosed |
| US-20170042871-A1 | TRIAZOLE AGONISTS OF THE APJ RECEPTOR | AMGEN INC. | 2017-02-16 | — | — | US | disclosed |