Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5639221

CCC(C)C(c1ccccc1)c1nnc2n1CCCCCC2.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
KCNK3 O14649 7/20 0.38
HTT P42858 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
SHMT2 P34897 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4520708 0.90 POLB (0.47) HPGDCYP3A4CYP2C19POLBLMNA
Trifluoroacetic Acid SCHEMBL5639463 0.87 HPGD (0.44) HPGDCYP3A4CYP2C19POLBLMNA
Trifluoroacetic Acid SCHEMBL5639539 0.87 HPGD (0.44) HPGDCYP3A4CYP2C19POLBLMNA
Trifluoroacetic Acid SCHEMBL5637557 0.86 HPGD (0.47) HPGDCYP3A4CYP2C19POLBLMNA
Trifluoroacetic Acid SCHEMBL5639104 0.86 HPGD (0.47) HPGDCYP3A4CYP2C19POLBLMNA
Trifluoroacetic Acid SCHEMBL5635813 0.82 HPGD (0.47) HPGDCYP3A4CYP2C19POLBLMNA
Trifluoroacetic Acid SCHEMBL5637599 0.80 HPGD (0.43) HPGDCYP3A4CYP2C19POLBLMNA
SCHEMBL4540695 0.79 HPGD (0.50) HPGDPOLBLMNAHTTMEN1
Trifluoroacetic Acid SCHEMBL5639310 0.78 ALOX5AP (0.41) HPGDCYP3A4CYP2C19POLBLMNA
Trifluoroacetic Acid SCHEMBL5639024 0.78 ALOX5AP (0.41) HPGDCYP3A4CYP2C19POLBLMNA

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
US-7179802-B2 11-beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2007-02-20 US disclosed