SCHEMBL20076511

SCHEMBL20076511

C=C(N)C1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1(C)Cl

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
CES2 O00748 1/20 0.33
SLC9A1 P19634 1/20 0.32
PTPN5 P54829 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL21020525 0.86 CES2 (0.34) CES2
SCHEMBL21022093 0.78 SLC9A1 (0.35) SLC9A1
SCHEMBL20076866 0.78 PGR (0.30)
SCHEMBL21021686 0.71 CES2 (0.34) CES2
SCHEMBL30527263 0.70 CES2 (0.33) ITGB3ITGAVCES2
SCHEMBL21021839 0.69 HTR3E (0.37) SLC9A1
SCHEMBL20780314 0.68 CCR2 (0.36) CES2
SCHEMBL18144169 0.67 CES2 (0.40) CES2
SCHEMBL29493871 0.67 CES2 (0.40) CES2
SCHEMBL18144165 0.67 CES2 (0.40) CES2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed