⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25703625 | 1.00 | — | — | |
| Heptaminol SCHEMBL3163491 | 0.86 | OPRM1 (0.46) | — | |
| Heptaminol SCHEMBL152610 | 0.86 | OPRM1 (0.46) | — | |
| Heptaminol SCHEMBL7530730 | 0.86 | OPRM1 (0.46) | — | |
| Heptaminol SCHEMBL4367181 | 0.84 | OPRM1 (0.44) | — | |
| Heptaminol SCHEMBL317122 | 0.84 | OPRM1 (0.44) | — | |
| Heptaminol SCHEMBL1649354 | 0.82 | OPRM1 (0.42) | — | |
| SCHEMBL10184723 | 0.82 | OPRM1 (0.48) | — | |
| SCHEMBL28650520 | 0.80 | — | — | |
| SCHEMBL29332284 | 0.79 | GABRP (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1809570-B | [1,2,4] triazolo [1,5-a ] pyrimidin-2-ylurea derivatives and uses thereof | NIPPON KAYAKU KK | 2011-06-22 | — | — | CN | disclosed |
| EP-1630165-B1 | [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF | NIPPON KAYAKU KK (JP) | 2010-03-31 | — | — | EP | disclosed |
| US-7598244-B2 | [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2009-10-06 | — | — | US | disclosed |
| US-20070010515-A1 | [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2007-01-11 | — | — | US | disclosed |
| CN-1809570-A | [1,2,4] triazolo [1, 5-a ] pyrimidin-2-ylurea derivatives and uses thereof | NIPPON KAYAKU KK (JP) | 2006-07-26 | — | — | CN | disclosed |
| EP-1630165-A1 | [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF | Nippon Kayaku Kabushiki Kaisha (JP) | 2006-03-01 | — | — | EP | disclosed |
| US-4592787-A | Using mixture of lower alkyl monoether of propylene glycol, alkanol, alkanolamine and a base | THE DOW CHEMICAL COMPANY (US) | 1986-06-03 | — | — | US | disclosed |