⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12880398 | 0.91 | — | — | |
| SCHEMBL1235324 | 0.90 | TSHR (0.30) | — | |
| SCHEMBL29558483 | 0.90 | TSHR (0.30) | — | |
| SCHEMBL12812942 | 0.86 | — | — | |
| SCHEMBL3107603 | 0.80 | KMT2A (0.32) | — | |
| SCHEMBL2945867 | 0.80 | — | — | |
| SCHEMBL2913766 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL2918161 | 0.78 | DDR1 (0.31) | — | |
| SCHEMBL2914155 | 0.78 | DDR1 (0.31) | — | |
| SCHEMBL2918843 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8632767-B2 | 3-[1-(3-haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-21 | — | — | US | disclosed |
| US-8632767-B2 | 3-[1-(3-haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-01-21 | — | — | US | disclosed |
| WO-2011029506-A1 | 3-[1-(3-HALOALKYL)-TRIAZOLYL]-PHENYL-SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES | BAYER CROPSCIENCE AG (DE) | 2011-03-17 | — | — | WO | disclosed |
| US-20110045104-A1 | 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides | BAYER CROPSCIENCE AG (DE) | 2011-02-24 | — | — | US | disclosed |
| US-20110045104-A1 | 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides | BAYER CROPSCIENCE AG (DE) | 2011-02-24 | — | — | US | disclosed |