⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4534135 | 0.81 | — | — | |
| SCHEMBL6687591 | 0.77 | — | — | |
| SCHEMBL981922 | 0.74 | — | — | |
| SCHEMBL2568081 | 0.74 | — | — | |
| SCHEMBL6122885 | 0.72 | — | — | |
| SCHEMBL2120747 | 0.72 | — | — | |
| SCHEMBL4527998 | 0.72 | THRB (0.31) | — | |
| SCHEMBL4524995 | 0.70 | TDP1 (0.38) | — | |
| SCHEMBL9547880 | 0.70 | TSHR (0.43) | — | |
| SCHEMBL11545811 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9089139-B2 | Agri-horticultural pest control compositions comprising 4-(3-butynyl)aminopyrimidine derivatives | SDS BIOTECH K. K. (JP) | 2015-07-28 | — | — | US | disclosed |
| EP-2664238-A1 | 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVE-CONTAINING PEST CONTROL COMPOSITION FOR AGRICULTURAL OR HORTICULTURAL USE | SDS Biotech K. K. (JP) | 2013-11-20 | — | — | EP | disclosed |
| US-20130296271-A1 | Agri-Horticultural Pest Control Compositions Comprising 4-(3-Butynyl)Aminopyrimidine Derivatives | SDS BIOTECH K.K. (JP) | 2013-11-07 | — | — | US | disclosed |
| US-20070105900-A1 | Pharmaceutical compounds | ATEX THERAPEUTICS, LIMITED (GB) | 2007-05-10 | — | — | US | disclosed |
| EP-1648449-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | Astex Therapeutics Limited (GB) | 2006-04-26 | — | — | EP | disclosed |
| WO-2005002576-A2 | IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-01-13 | — | — | WO | disclosed |