⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1483393 | 0.71 | — | — | |
| SCHEMBL1817501 | 0.67 | — | — | |
| SCHEMBL18938659 | 0.67 | — | — | |
| SCHEMBL208664 | 0.61 | — | — | |
| SCHEMBL10431167 | 0.57 | AHR (0.38) | — | |
| SCHEMBL144002 | 0.55 | — | — | |
| SCHEMBL21737541 | 0.51 | — | — | |
| SCHEMBL18938762 | 0.50 | — | — | |
| SCHEMBL18938612 | 0.50 | — | — | |
| SCHEMBL975699 | 0.50 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9957248-B2 | Substituted 5-hydroxy-2-heteroaryl-3-phenylpentanonitrile derivatives, processes for their preparation and their use as herbicides and/or plant growth regulators | BAYER CROPSCIENCE AKTIENGESELLSHAFT (DE) | 2018-05-01 | — | — | US | disclosed |
| US-20170166549-A1 | Substituted 5-hydroxy-2-heteroaryl-3-phenylpentanonitrile derivatives, processes for their preparation and their use as herbicides and/or plant growth regulators | BAYER CROPSCIENCE AKTIENGESELLSHAFT (DE) | 2017-06-15 | — | — | US | disclosed |