⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5200468 | 1.00 | — | — | |
| SCHEMBL2627432 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL4701396 | 0.97 | — | — | |
| SCHEMBL23901198 | 0.89 | SCN4A (0.35) | — | |
| SCHEMBL26033404 | 0.86 | SCN4A (0.32) | — | |
| SCHEMBL24908212 | 0.86 | SCN4A (0.32) | — | |
| SCHEMBL16826803 | 0.80 | CA2 (0.34) | — | |
| SCHEMBL473650 | 0.79 | — | — | |
| SCHEMBL11242156 | 0.79 | SCN4A (0.39) | — | |
| SCHEMBL20207458 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3541792-B1 | TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC (US) | 2020-12-23 | — | — | EP | disclosed |
| US-20120108564-A1 | 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyradine Derivatives and Use Thereof as HIV Integrase Inhibitor | JAPAN TOBACCO INC. (JP) | 2012-05-03 | — | — | US | disclosed |