⚠ 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 | |
|---|---|---|---|---|
| (Isothiocyanatomethyl)Cyclohexane SCHEMBL1448756 | 0.97 | KEAP1 (0.42) | — | |
| SCHEMBL11053867 | 0.94 | — | — | |
| SCHEMBL2143495 | 0.88 | APLNR (0.36) | — | |
| SCHEMBL26614265 | 0.88 | APLNR (0.36) | — | |
| SCHEMBL569528 | 0.88 | — | — | |
| SCHEMBL941091 | 0.84 | KEAP1 (0.34) | — | |
| SCHEMBL19040755 | 0.82 | APLNR (0.52) | — | |
| Isothiocyanate SCHEMBL17289573 | 0.79 | KEAP1 (0.32) | — | |
| SCHEMBL2137343 | 0.78 | KEAP1 (0.34) | — | |
| SCHEMBL21406417 | 0.77 | KEAP1 (0.35) | — |
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 8 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 |
| EP-1381593-A2 | (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS | Allergan, Inc. (US) | 2004-01-21 | — | — | EP | disclosed |
| US-6534542-B2 | For alleviating chronic pain and allodynia and have no or only minimal cardivascular and/or sedatory activity | ALLERGEN SALES, INC. | 2003-03-18 | — | — | US | disclosed |
| US-20020161051-A1 | (2-hydroxy)ethyl-thioureas useful as modulators of alpha2B adrenergic receptors | ALLERGAN SALES, INC. | 2002-10-31 | — | — | US | disclosed |
| WO-2002068384-A2 | (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS | ALLERGAN, INC. (US) | 2002-09-06 | — | — | WO | disclosed |
| US-4525479-A | 7-Oxabicycloheptane substituted thiocarbamate prostaglandin analogs useful as cardiovascular agents | E. R. SQUIBB & SONS, INC. (US) | 1985-06-25 | — | — | US | disclosed |