Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL15670871

N[C@@H](CCCC(F)(F)F)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.50

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.50
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
NOS2 P35228 6/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIK1 P39086 1/20 0.43
GRM5 P41594 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL15670870 1.00 GSR (0.50) GSRARG2ARG1NOS2CYP1A2
SCHEMBL188383 0.94 GSR (0.56) GSRARG2ARG1NOS2CYP1A2
SCHEMBL188384 0.94 GSR (0.56) GSRARG2ARG1NOS2CYP1A2
SCHEMBL18762553 0.94 GSR (0.56) GSRARG2ARG1NOS2CYP1A2
Hydrochloric Acid SCHEMBL15665491 0.92 GSR (0.54) GSRARG2ARG1NOS2CYP1A2
Hydrochloric Acid SCHEMBL15665490 0.92 GSR (0.54) GSRARG2ARG1NOS2CYP1A2
SCHEMBL18791051 0.90 GSR (0.57) GSRARG2ARG1NOS2CYP1A2
SCHEMBL18774897 0.90 GSR (0.57) GSRARG2ARG1NOS2CYP1A2
SCHEMBL18774896 0.90 GSR (0.57) GSRARG2ARG1NOS2CYP1A2
Hydrochloric Acid SCHEMBL18762490 0.88 GSR (0.55) GSRARG2ARG1NOS2CYP1A2

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
EP-2914595-A1 CARBOXY-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS SOLUBLE GUANYLATE CYCLASE STIMULANTS Bayer Pharma Aktiengesellschaft (DE) 2015-09-09 EP disclosed
WO-2014068095-A1 CARBOXY-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS SOLUBLE GUANYLATE CYCLASE STIMULANTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 WO disclosed