⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1323137 | 0.75 | TSHR (0.52) | — | |
| SCHEMBL10159567 | 0.75 | TSHR (0.52) | — | |
| SCHEMBL915178 | 0.73 | DPP4 (0.47) | — | |
| SCHEMBL1193669 | 0.73 | DPP4 (0.47) | — | |
| SCHEMBL1573580 | 0.73 | DPP4 (0.47) | — | |
| SCHEMBL60955 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28307652 | 0.73 | TSHR (0.50) | — | |
| Hydrochloric Acid SCHEMBL28033934 | 0.71 | DPP4 (0.45) | — | |
| SCHEMBL874357 | 0.69 | CYP2D6 (0.39) | — | |
| SCHEMBL2964209 | 0.69 | TSHR (0.38) | — |
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-3429997-A1 | N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS | Bayer CropScience Aktiengesellschaft (DE) | 2019-01-23 | — | — | EP | claimed |
| WO-2017157885-A1 | N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-09-21 | — | — | WO | claimed |
| EP-3429997-A1 | N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS | Bayer CropScience Aktiengesellschaft (DE) | 2019-01-23 | — | — | EP | disclosed |
| WO-2017157885-A1 | N-(CYANOBENZYL)-6-(CYCLOPROPYL-CARBONYLAMINO)-4-(PHENYL)-PYRIDINE-2-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES AND PLANT PROTECTION AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-09-21 | — | — | WO | disclosed |
| US-7763562-B2 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-07-27 | — | — | US | disclosed |
| US-20070135597-A1 | Heteroatom bridged metallocene compounds for olefin polymerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2007-06-14 | — | — | US | disclosed |