SCHEMBL18701546

SCHEMBL18701546

O=C(O)c1c(Cl)sc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DAO P14920 6/20 0.34
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
DPP4 P27487 1/20 0.31
GSK3B P49841 1/20 0.31
BCKDK O14874 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
SCHEMBL18701671 0.84 DAO (0.35) DAOCES2CES1DPP4BCKDK
SCHEMBL18701838 0.84 DAO (0.35) DAODPP4BCKDK
SCHEMBL18701632 0.82 GSK3B (0.38) DAOCES2CES1DPP4GSK3B
SCHEMBL18701752 0.82 DAO (0.34) DAOCES2CES1DPP4GSK3B
SCHEMBL18701542 0.82 DAO (0.34) DAOCES2CES1DPP4BCKDK
SCHEMBL18701551 0.80 BCKDK (0.36) DAOCES2CES1DPP4BCKDK
SCHEMBL18701738 0.78 DAO (0.34) DAO
SCHEMBL6058482 0.75 DAO (0.42) DAODPP4GSK3B
SCHEMBL18701547 0.73 GSK3B (0.42) DAODPP4GSK3BBCKDK
SCHEMBL19733065 0.70 DAO (0.39) DAODPP4GSK3B

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180282605-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-10-04 US disclosed
WO-2017060699-A1 METHOD OF MONITORING A PARAMETER OF A HYDROCARBON WELL, PIPELINE OR FORMATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-04-13 WO disclosed