SCHEMBL23509983

SCHEMBL23509983

CC1(C)OB(c2cc(F)c(C(F)(F)Oc3cc(F)c(C=O)c(F)c3)c(F)c2)OC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
ROCK1 Q13464 1/20 0.30
F2 P00734 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL13218909 0.86 LPL (0.36) CA1CA2CA9LPLLIPG
SCHEMBL2393633 0.86 LPL (0.36) CA1CA2CA9LPLLIPG
SCHEMBL23124209 0.83 LPL (0.43) CA1CA2CA9LPLLIPG
SCHEMBL24492663 0.81 LPL (0.32) LPLLIPG
SCHEMBL26453265 0.74
SCHEMBL2486780 0.74 LPL (0.35) CA1CA2CA9LPLLIPG
SCHEMBL9913189 0.74 LPL (0.35) CA1CA2CA9LPLLIPG
SCHEMBL12760441 0.74 LPL (0.37) CA1CA2CA9LPLLIPG
SCHEMBL22659553 0.74 LPL (0.36) CA1CA2CA9LPLLIPG
SCHEMBL12357207 0.73 LPL (0.39) CA1CA2CA9LPLLIPG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639471-B2 Compound, liquid crystal composition and high-frequency phase shifter DIC CORPORATION (JP) 2023-05-02 US disclosed
US-11639471-B2 Compound, liquid crystal composition and high-frequency phase shifter DIC CORPORATION (JP) 2023-05-02 US disclosed
US-20210179943-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND HIGH-FREQUENCY PHASE SHIFTER DIC CORPORATION (JP) 2021-06-17 US disclosed