⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27650206 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7447736 | 0.97 | LMNA (0.43) | — | |
| SCHEMBL25374730 | 0.85 | FDPS (0.45) | — | |
| SCHEMBL28617733 | 0.81 | FDPS (0.48) | — | |
| SCHEMBL28843607 | 0.81 | FDPS (0.42) | — | |
| SCHEMBL716231 | 0.79 | — | — | |
| SCHEMBL574413 | 0.79 | — | — | |
| SCHEMBL160132 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28039348 | 0.79 | FDPS (0.41) | — | |
| SCHEMBL355066 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2370410-B1 | 2-[(1-CYANOPROPYL)CARBAMOYL]-5-CHLOROMETHYL NICOTINIC ACIDS AND THE USE THEREOF IN MANUFACTURING HERBICIDAL IMIDAZOLINONES | BASF SE (DE) | 2013-10-23 | — | — | EP | disclosed |
| US-8563734-B2 | 2-[1-cyanopropyl)carbamoyl]-5-chloromethyl nicotinic acids and the use thereof in manufacturing herbicidal imidazolinones | BASF SE (DE) | 2013-10-22 | — | — | US | disclosed |
| EP-2370410-A1 | 2-[(1-CYANOPROPYL)CARBAMOYL]-5-CHLOROMETHYL NICOTINIC ACIDS AND THE USE THEREOF IN MANUFACTURING HERBICIDAL IMIDAZOLINONES | BASF SE (DE) | 2011-10-05 | — | — | EP | disclosed |
| US-20110218340-A1 | 2-[1-Cyanopropyl)Carbamoyl]-5-Chloromethyl Nicotinic Acids and the Use Thereof in Manufacturing Herbicidal Imidazolinones | BASF SE (DE) | 2011-09-08 | — | — | US | disclosed |
| WO-2010054952-A1 | 2-[(1-CYANOPROPYL)CARBAMOYL]-5-CHLOROMETHYL NICOTINIC ACIDS AND THE USE THEREOF IN MANUFACTURING HERBICIDAL IMIDAZOLINONES | BASF SE (DE) | 2010-05-20 | — | — | WO | disclosed |
| WO-2010055042-A1 | 2-[(1-CYANOPROPYL)CARBAMOYL]-5-METHOXYMETHYL NICOTINIC ACIDS AND THE USE THEREOF IN MANUFACTURING HERBICIDAL IMIDAZOLINONES | BASF SE (DE) | 2010-05-20 | — | — | WO | disclosed |
| US-4758667-A | Process for the preparation of 2-(imidazolin-2-yl)-3-pyridine- and -3-quinolinecarboxylic acids | CIBA-GEIGY CORPORATION (US) | 1988-07-19 | — | — | US | disclosed |