⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9959517 | 0.94 | GRM5 (0.41) | — | |
| SCHEMBL10847910 | 0.89 | GRM5 (0.38) | — | |
| SCHEMBL1859075 | 0.77 | — | — | |
| SCHEMBL119023 | 0.77 | — | — | |
| SCHEMBL29530718 | 0.77 | — | — | |
| SCHEMBL27711883 | 0.77 | ALDH1A1 (0.47) | — | |
| SCHEMBL29003 | 0.76 | TDP1 (0.39) | — | |
| SCHEMBL30800867 | 0.76 | ALDH1A1 (0.46) | — | |
| SCHEMBL981103 | 0.74 | GRM5 (0.50) | — | |
| SCHEMBL18188087 | 0.74 | GRM5 (0.53) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240351959-A1 | USE OF ETHYNYLPYRIDINE COMPOUNDS AS NITRIFICATION INHIBITORS | BASF SE (DE) | 2024-10-24 | — | — | US | disclosed |
| EP-4341245-A1 | USE OF ETHYNYLPYRIDINE COMPOUNDS AS NITRIFICATION INHIBITORS | BASF SE (DE) | 2024-03-27 | — | — | EP | disclosed |
| CN-117355504-A | Use of ethynyl pyridine compounds as nitrification inhibitors | 巴斯夫欧洲公司 | 2024-01-05 | — | — | CN | disclosed |
| WO-2022243521-A1 | USE OF ETHYNYLPYRIDINE COMPOUNDS AS NITRIFICATION INHIBITORS | BASF SE (DE) | 2022-11-24 | — | — | WO | disclosed |
| US-7601714-B2 | Pyrimidine derivatives useful as inhibitors of PKC-theta | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-10-13 | — | — | US | disclosed |
| EP-1270582-B1 | TRIPHENYLPHOSPHINE DERIVATIVES, PALLADIUM OR NICKEL COMPLEXES THEREOF, AND PROCESS FOR PREPARING BIARYL DERIVATIVES | MITSUBISHI RAYON CO (JP) | 2006-08-30 | — | — | EP | disclosed |
| US-6693210-B2 | USING PALLADIUM, NICKEL PHOSPHINE COMPLEX AS CATALYSTS | MITSUBISHI RAYON CO., LTD. (JP) | 2004-02-17 | — | — | US | disclosed |
| US-20030065208-A1 | Using palladium, nickel phosphine complex as catalysts | MITSUBISHI RAYON CO., LTD. (JP) | 2003-04-03 | — | — | US | disclosed |
| EP-1270582-A1 | TRIPHENYLPHOSPHINE DERIVATIVE, PRODUCTION PROCESS THEREFOR, PALLADIUM COMPLEX THEREOF, AND PROCESS FOR PRODUCING BIARYL DERIVATIVE | Mitsubishi Rayon Co., Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |