Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29490759

O=C(O)C(F)(F)F.O=C(O)c1[nH]nnc1Sc1ccc(-c2ccc(N3CCCCC3)cc2)c(Cl)c1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 4/20 0.40
▸ PRKAG1 P54619 4/20 0.40
▸ PRKAA2 P54646 4/20 0.40
▸ PRKAA1 Q13131 4/20 0.40
▸ PRKAG3 Q9UGI9 4/20 0.40
▸ PRKAG2 Q9UGJ0 4/20 0.40
▸ PRKAB1 Q9Y478 4/20 0.40
▸ GRK6 P43250 1/20 0.34
▸ DPP4 P27487 3/20 0.33
▸ DPP7 Q9UHL4 3/20 0.33
▸ MARS1 P56192 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ IP6K1 Q92551 1/20 0.32
▸ IP6K3 Q96PC2 1/20 0.32
▸ IP6K2 Q9UHH9 1/20 0.32
▸ ADH5 P11766 2/20 0.32
▸ C1S P09871 2/20 0.32
▸ ALPL P05186 1/20 0.32
▸ SERPINE1 P05121 1/20 0.32

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 SCHEMBL22608337 1.00 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22816359 0.94 PRKAG1 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29514802 0.94 PRKAG1 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL22608241 0.89 DPP4 (0.37) GRK6DPP4DPP7DHODHIKBKB
Trifluoroacetic Acid SCHEMBL22608382 0.88 DPP4 (0.38) GRK6DPP4DPP7DHODHIP6K1
SCHEMBL22608339 0.87 PRKAG1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL22807386 0.84 KMO (0.41) MARS1
SCHEMBL22815871 0.82 DHODH (0.39) GRK6DHODHIKBKBIP6K1IP6K3
Trifluoroacetic Acid SCHEMBL22608708 0.82 GRK6 (0.41) GRK6C1S
SCHEMBL22815613 0.81 NPC1 (0.38) GRK6DHODHIP6K1IP6K3IP6K2

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
EP-3986863-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BioMarin Pharmaceutical Inc. (US) 2022-04-27 — — EP disclosed
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