⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6760698 | 0.77 | — | — | |
| SCHEMBL5543974 | 0.75 | — | — | |
| SCHEMBL16781846 | 0.75 | — | — | |
| SCHEMBL20498123 | 0.75 | — | — | |
| SCHEMBL10156309 | 0.75 | GRM5 (0.34) | — | |
| Hydrochloric Acid SCHEMBL5013629 | 0.73 | SLC6A3 (0.38) | — | |
| SCHEMBL10123483 | 0.73 | SLC6A3 (0.38) | — | |
| SCHEMBL20312853 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL5548739 | 0.71 | SLC6A3 (0.37) | — | |
| SCHEMBL2089836 | 0.71 | SLC6A3 (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120028970-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | MSD K.K. (JP) | 2012-02-02 | — | — | US | disclosed |
| US-7732469-B2 | for controlling or preventing infestation of plants by phytopathogenic microorganisms, preferably fungi | SYNGENTA CROP PROTECTION, INC. (US) | 2010-06-08 | — | — | US | disclosed |
| US-20080227835-A1 | Heterocyclic Amide Derivatives Useful as Microbiocides | SYNGENTA CROP PROTECTION, INC. (US) | 2008-09-18 | — | — | US | disclosed |