Fluoride

Fluoride

SCHEMBL28075271

CO[SiH](OC)c1ccccc1.F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LTA4H P09960 3/20 0.33
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 0.32
PDE4B Q07343 1/20 0.30
NQO2 P16083 1/20 0.30
TRPA1 O75762 1/20 0.30
POLB P06746 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
SCHEMBL202617 0.97 CA4 (0.41) CA4CA12CA1CA2CA7
SCHEMBL27967440 0.94 CA4 (0.39) CA4CA12CA1CA2CA7
SCHEMBL28013767 0.94 CA1 (0.41) CA4CA12CA1CA2CA7
Water SCHEMBL27737033 0.94 CA4 (0.39) CA4CA12CA1CA2CA7
Benzene SCHEMBL27757751 0.94 CA4 (0.39) CA4CA12CA1CA2CA7
Ammonia Solution, Strong SCHEMBL28286688 0.94 CA4 (0.39) CA4CA12CA1CA2CA7
SCHEMBL28836051 0.85 CA4 (0.33) CA4NQO2POLB
SCHEMBL2356053 0.82 CA4 (0.35) CA4CA12CA1CA2CA7
SCHEMBL27762993 0.82 ALDH1A1 (0.43) CA4CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL14366693 0.82 CA12 (0.32) CA12CA1CA2CA7CA9

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
CN-105829485-A Photocurable Composition Having Adhesive Properties 思美定株式会社 2016-08-03 CN disclosed