Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4280586

NC1c2ccccc2CC1O.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ANPEP P15144 1/20 0.38
KDM1A O60341 6/20 0.37
DPP8 Q6V1X1 4/20 0.37
DPP9 Q86TI2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
DPP7 Q9UHL4 4/20 0.37
DPP4 P27487 2/20 0.37
SLC18A3 Q16572 1/20 0.37

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
SCHEMBL3216510 0.85 ANPEP (0.48) ANPEPKDM1ASIGMAR1
SCHEMBL1002064 0.85 ANPEP (0.48) ANPEPKDM1ASIGMAR1
SCHEMBL674106 0.85 ANPEP (0.48) ANPEPKDM1ASIGMAR1
SCHEMBL1161605 0.85 ANPEP (0.48) ANPEPKDM1ASIGMAR1
SCHEMBL29593884 0.85 ANPEP (0.48) ANPEPKDM1ASIGMAR1
SCHEMBL83474 0.85 ANPEP (0.48) ANPEPKDM1ASIGMAR1
SCHEMBL163842 0.85 ANPEP (0.48) ANPEPKDM1ASIGMAR1
SCHEMBL163841 0.85 ANPEP (0.48) ANPEPKDM1ASIGMAR1
SCHEMBL5635861 0.85 ANPEP (0.48) ANPEPKDM1ASIGMAR1
SCHEMBL29512976 0.85 ANPEP (0.48) ANPEPKDM1ASIGMAR1

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
WO-2009152027-A1 5,7-DIHYDRO-6H-PYRROLO[2,3-D]PYRIMIDIN-6-ONE DERIVATIVES FOR MARK INHIBITION MERCK & CO., INC. (US) 2009-12-17 WO disclosed