⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5018717 | 0.73 | — | — | |
| SCHEMBL19573975 | 0.71 | — | — | |
| SCHEMBL20200261 | 0.71 | — | — | |
| SCHEMBL20200126 | 0.65 | — | — | |
| SCHEMBL24394262 | 0.63 | — | — | |
| SCHEMBL27917347 | 0.63 | — | — | |
| Oxalic Acid SCHEMBL20398335 | 0.63 | TSHR (0.35) | — | |
| SCHEMBL3056172 | 0.61 | — | — | |
| SCHEMBL26385627 | 0.61 | — | — | |
| SCHEMBL26385628 | 0.61 | — | — |
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-2018093579-A1 | TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2018-05-24 | — | — | WO | disclosed |