⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9924591 | 0.80 | SIRT6 (0.42) | — | |
| SCHEMBL23589912 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL824021 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL19229067 | 0.77 | MAPT (0.38) | — | |
| SCHEMBL10220422 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL25138839 | 0.75 | SCN1A (0.30) | — | |
| SCHEMBL14964126 | 0.74 | F2RL3 (0.31) | — | |
| SCHEMBL20462625 | 0.72 | KDM4E (0.40) | — | |
| SCHEMBL16712283 | 0.72 | SIRT6 (0.33) | — | |
| SCHEMBL20469384 | 0.72 | GABRP (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180222895-A1 | COMPOUNDS FOR USE IN PREPARING HETEROCYCLIC TRIAZOLE AGONISTS OF THE APJ RECEPTOR | AMGEN INC. | 2018-08-09 | — | — | US | disclosed |