SCHEMBL20112340

SCHEMBL20112340

CNc1cc(OC(C)C(F)(F)F)c(C(=O)Nc2c(F)cccc2F)cc1F

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.71

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
SCHEMBL29513015 0.85 DHODH (0.64) DHODH
SCHEMBL21853496 0.85 DHODH (0.64) DHODH
SCHEMBL20107966 0.85 DHODH (0.64) DHODH
SCHEMBL23042248 0.83 DHODH (0.85) DHODH
SCHEMBL21469063 0.82 DHODH (0.79) DHODH
SCHEMBL23042182 0.81 DHODH (0.81) DHODH
SCHEMBL23056766 0.81 DHODH (1.00) DHODH
SCHEMBL29531000 0.81 DHODH (0.81) DHODH
SCHEMBL23042183 0.81 DHODH (0.81) DHODH
SCHEMBL29531126 0.81 DHODH (1.00) DHODH

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-2018077944-A2 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AKTIENGESELLSCHAFT (DE) 2018-05-03 WO disclosed