⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6538414 | 0.94 | — | — | |
| (Isothiocyanatomethyl)Cyclohexane SCHEMBL1448756 | 0.92 | KEAP1 (0.42) | — | |
| SCHEMBL941091 | 0.90 | KEAP1 (0.34) | — | |
| SCHEMBL569528 | 0.88 | — | — | |
| SCHEMBL26614265 | 0.88 | APLNR (0.36) | — | |
| SCHEMBL2143495 | 0.88 | APLNR (0.36) | — | |
| Isothiocyanate SCHEMBL17289573 | 0.84 | KEAP1 (0.32) | — | |
| SCHEMBL21406417 | 0.77 | KEAP1 (0.35) | — | |
| SCHEMBL13563355 | 0.77 | NAAA (0.33) | — | |
| SCHEMBL13973740 | 0.77 | TRPA1 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3541803-B1 | TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC (US) | 2020-12-23 | — | — | EP | disclosed |
| US-10689367-B2 | Triazole pyridyl compounds as agonists of the APJ receptor | AMGEN INC. (US) | 2020-06-23 | — | — | US | disclosed |
| US-20190300507-A1 | TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR | AMGEN INC. (US) | 2019-10-03 | — | — | US | disclosed |
| US-4488993-A | Amidinoureas | WILLIAM H. RORER, INC. | 1984-12-18 | — | — | US | disclosed |
| US-4220658-A | Treatment of hypertension with amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-02 | — | — | US | disclosed |
| US-3976643-A | FROM AN ANILINE AND CYANAMIDE | WILLIAM H. RORER, INC. (US) | 1976-08-24 | — | — | US | disclosed |