SCHEMBL9258152

SCHEMBL9258152

C=CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3cc(F)c(C(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.34

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
SCHEMBL8451986 0.96 DAO (0.33) DAO
SCHEMBL8451867 0.96 DAO (0.36) DAO
SCHEMBL8450729 0.92 DAO (0.35) DAO
SCHEMBL8453116 0.92 DAO (0.35) DAO
SCHEMBL8446709 0.89
SCHEMBL8446784 0.88 DAO (0.38) DAO
SCHEMBL8451953 0.86 DAO (0.35) DAO
SCHEMBL8454397 0.86 DAO (0.35) DAO
SCHEMBL8451711 0.86 DAO (0.32) DAO
SCHEMBL8447910 0.85

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
US-5382379-A Cyclohexane derivative CHISSO CORPORATION (JP) 1995-01-17 US disclosed