⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1085772 | 0.76 | — | — | |
| SCHEMBL9385383 | 0.72 | — | — | |
| SCHEMBL18125536 | 0.72 | — | — | |
| SCHEMBL20689264 | 0.72 | — | — | |
| SCHEMBL10125975 | 0.72 | — | — | |
| SCHEMBL25019042 | 0.69 | ADORA2A (0.37) | — | |
| SCHEMBL20697171 | 0.69 | — | — | |
| SCHEMBL21719963 | 0.69 | — | — | |
| SCHEMBL21238765 | 0.69 | — | — | |
| SCHEMBL3329152 | 0.69 | CYP2C19 (0.43) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022212538-A1 | DIAZEPANONE-FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | BLUEPRINT MEDICINES CORPORATION (US) | 2022-10-06 | — | — | WO | disclosed |
| WO-2022094354-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF | LENGO THERAPEUTICS, INC. (US) | 2022-05-05 | — | — | WO | disclosed |
| WO-2022094355-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF | LENGO THERAPEUTICS, INC. (US) | 2022-05-05 | — | — | WO | disclosed |
| WO-2021062327-A1 | FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF | JUBILANT BIOSYS LIMITED (IN) | 2021-04-01 | — | — | WO | disclosed |
| WO-2020114212-A1 | 4-(3-HETEROCYCLYL-1-BENZOYL) PYRAZOLE COMPOUND OR SALT THEREOF, PREPARATION METHOD THEREFOR, HERBICIDE COMPOSITION THEREOF AND USE THEREOF | 青岛清原化合物有限公司 | 2020-06-11 | — | — | WO | disclosed |
| US-8536215-B2 | Pyrazole microbiocides | SYNGENTA CROP PROTECTION LLC (US) | 2013-09-17 | — | — | US | disclosed |
| US-8357634-B2 | N-alkoxycarboxamides and their use as microbiocides | SYNGENTA CROP PROTECTION LLC (US) | 2013-01-22 | — | — | US | disclosed |
| US-20120329847-A1 | PYRAZOLE MICROBIOCIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-12-27 | — | — | US | disclosed |
| US-8268877-B2 | Microbiocides | SYNGENTA CROP PROTECTION, LLC (US) | 2012-09-18 | — | — | US | disclosed |
| US-8258169-B2 | Pyrazole-4-N-alkoxycarboxamides as microbiocides | SYNGENTA CROP PROTECTION, LLC (US) | 2012-09-04 | — | — | US | disclosed |
| US-20120172407-A1 | N-ALKOXYCARBOXAMIDES AND THEIR USE AS MICROBIOCIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-07-05 | — | — | US | disclosed |
| US-20120108645-A1 | NOVEL MICROBIOCIDES | SYNGENTA CROP PROTECTION LLC (US) | 2012-05-03 | — | — | US | disclosed |
| US-20110230537-A1 | NOVEL PYRAZOLE-4-N-ALKOXYCARBOXAMIDES AS MICROBIOCIDES | SYNGENTA CROP PROTECTION LLC (US) | 2011-09-22 | — | — | US | disclosed |
| US-7241721-B2 | carboxamide derivatives as active ingredients which have microbiocidal activity, in particular fungicidal activity | SYNGENTA CROP PROTECTION, INC. (US) | 2007-07-10 | — | — | US | disclosed |