SCHEMBL9697701

SCHEMBL9697701

O=C(O)C1(F)CCCCC1O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 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
SCHEMBL4612910 0.78 GRM2 (0.32) CYP2C19
SCHEMBL9695712 0.77 LMNA (0.31)
SCHEMBL9583882 0.75 MAPT (0.44) CYP2C19
SCHEMBL27659634 0.73 CYP2C19 (0.41) CYP2C19
SCHEMBL9572091 0.72 F10 (0.40)
SCHEMBL9583645 0.71 CYP3A4 (0.40)
SCHEMBL2832691 0.71 LMNA (0.33) CYP2C19
SCHEMBL6142784 0.71 LMNA (0.33) CYP2C19
SCHEMBL7130222 0.71 LMNA (0.33) CYP2C19
SCHEMBL28148655 0.71 TRPA1 (0.32)

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
CN-105517574-B The combination product of hepatitis C virus inhibitors 百时美施贵宝公司 2019-01-18 CN disclosed
EP-0468766-A1 Halogen-containing compounds, herbicidal composition containing the same as an active ingredient, and intermediary compounds therefor Mitsubishi Chemical Corporation (JP) 1992-01-29 EP disclosed