⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL790330 | 0.74 | — | — | |
| SCHEMBL28476813 | 0.74 | — | — | |
| SCHEMBL28775238 | 0.74 | — | — | |
| SCHEMBL2468862 | 0.69 | — | — | |
| SCHEMBL933680 | 0.64 | — | — | |
| SCHEMBL15637554 | 0.64 | IDO1 (0.46) | — | |
| SCHEMBL450465 | 0.57 | — | — | |
| SCHEMBL440213 | 0.56 | — | — | |
| SCHEMBL9169317 | 0.56 | — | — | |
| SCHEMBL193034 | 0.56 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10172350-B2 | Substituted 5-hydroxy-2-phenyl-3-heteroaryl pentanenitrile derivatives, method for the production thereof and use thereof as herbicides and/or plant growth regulators | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2019-01-08 | — | — | US | disclosed |
| EP-3203841-B1 | SUBSTITUTED 5-HYDROXY-2-PHENYL-3-HETEROARYLPENTANONITRILE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS | BAYER CROPSCIENCE AG (DE) | 2018-06-13 | — | — | EP | disclosed |
| US-20170290330-A1 | SUBSTITUTED 5-HYDROXY-2-PHENYL-3-HETEROARYL PENTANENITRILE DERIVATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND/OR PLANT GROWH REGULATORS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-10-12 | — | — | US | disclosed |
| US-9040537-B2 | Pyridazine compounds for controlling invertebrate pests | BASF SE (DE) | 2015-05-26 | — | — | US | disclosed |
| EP-2615917-A2 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III | BASF SE (DE) | 2013-07-24 | — | — | EP | disclosed |
| US-20130180014-A1 | Pyridine Compounds for Controlling Invertebrate Pests III | BASF SE (DE) | 2013-07-11 | — | — | US | disclosed |
| EP-2550264-A1 | PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS | BASF SE (DE) | 2013-01-30 | — | — | EP | disclosed |
| US-20130012380-A1 | Pyridazine Compounds For Controlling Invertebrate Pests | BASF SE (DE) | 2013-01-10 | — | — | US | disclosed |
| WO-2012034959-A2 | PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III | BASF SE (DE) | 2012-03-22 | — | — | WO | disclosed |
| WO-2011117286-A1 | PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS | BASF SE (DE) | 2011-09-29 | — | — | WO | disclosed |