SCHEMBL16959641

SCHEMBL16959641

C=[C]c1cc(OC(F)(F)F)cc(C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ PDE2A O00408 2/20 0.33
▸ GPR3 P46089 1/20 0.30
▸ GRM5 P41594 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
SCHEMBL17125226 0.83 PGR (0.39) ALDH1A1PDE2AGPR3GRM5
SCHEMBL13523276 0.82 ALDH1A1 (0.44) ALDH1A1PDE2AGPR3
SCHEMBL26699967 0.82 ALDH1A1 (0.44) ALDH1A1PDE2AGPR3
SCHEMBL16954164 0.82 GPR3 (0.35) GPR3GRM5
SCHEMBL16956504 0.80 FFAR4 (0.37) PDE2AGPR3GRM5
SCHEMBL16955523 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL16954784 0.78 ACACB (0.30) —
SCHEMBL16962005 0.77 ALDH1A1 (0.39) ALDH1A1PDE2AGPR3
SCHEMBL16955222 0.77 ALDH1A1 (0.41) ALDH1A1GPR3GRM5
SCHEMBL16950774 0.77 PGR (0.39) ALDH1A1GPR3

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
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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