⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13069965 | 0.80 | — | — | |
| SCHEMBL8328495 | 0.76 | — | — | |
| SCHEMBL15220248 | 0.69 | — | — | |
| SCHEMBL24023276 | 0.68 | — | — | |
| SCHEMBL11871399 | 0.67 | ALDH1A1 (0.71) | — | |
| SCHEMBL19832428 | 0.67 | — | — | |
| SCHEMBL24751913 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL24072768 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL24717370 | 0.65 | — | — | |
| SCHEMBL7992428 | 0.65 | — | — |
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-3300500-B9 | TRIAZOLE AGONISTS OF THE APJ RECEPTOR | AMGEN INC (US) | 2021-01-13 | — | — | EP | disclosed |