SCHEMBL28124359

SCHEMBL28124359

[Li]C#Cc1ccccc1F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.42
MME P08473 3/20 0.36
ECE1 P42892 3/20 0.36
ACHE P22303 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
NFE2L2 Q16236 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
IKBKB O14920 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL29251289 0.84 GRM5 (0.52) GRM5MMEECE1ACHEPTGDR2
Charcoal, Activated SCHEMBL31286314 0.81 GRM5 (0.50) GRM5MMEECE1ACHEPTGDR2
Fluoride SCHEMBL31286347 0.81 GRM5 (0.50) GRM5MMEECE1ACHEPTGDR2
SCHEMBL16457122 0.77 GRM5 (0.43) GRM5MMEECE1ACHEPTGDR2
SCHEMBL301745 0.75 GRM5 (0.42) GRM5MMEECE1ACHEPTGDR2
SCHEMBL301744 0.75 GRM5 (0.42) GRM5MMEECE1ACHEPTGDR2
SCHEMBL849221 0.75 GRM5 (0.42) GRM5MMEECE1ACHEPTGDR2
SCHEMBL8767077 0.75 GRM5 (0.46) GRM5MMEECE1ACHEPTGDR2
SCHEMBL8424794 0.73 APP (0.57) GRM5PTGDR2
SCHEMBL3856151 0.72 GRM5 (0.37) GRM5MMEECE1PTGDR2IKBKB

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-106414461-B Borate-based generated base alkaline agent and alkali reactive composition containing the generated base alkaline agent 富士胶片和光纯药株式会社 2018-09-11 CN disclosed
CN-106414461-A BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR 和光纯药工业株式会社 2017-02-15 CN disclosed