⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31189576 | 0.78 | HSD11B1 (0.31) | — | |
| SCHEMBL67235 | 0.77 | — | — | |
| SCHEMBL23267331 | 0.75 | CHRM4 (0.31) | — | |
| SCHEMBL23267330 | 0.75 | CHRM4 (0.31) | — | |
| SCHEMBL23267329 | 0.75 | CHRM4 (0.31) | — | |
| SCHEMBL23267328 | 0.75 | CHRM4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL5372097 | 0.73 | — | — | |
| SCHEMBL170645 | 0.70 | — | — | |
| SCHEMBL23268044 | 0.68 | — | — | |
| SCHEMBL25112096 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018093577-A1 | CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2018-05-24 | — | — | WO | disclosed |