Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3979025

O=C(O)C(F)(F)F.O=C(O)c1c(Cl)cccc1Cl

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
DPP4 P27487 1/20 0.47
PBRM1 Q86U86 1/20 0.46
TSHR P16473 1/20 0.45
FEN1 P39748 1/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1B1 P15121 1/20 0.41
KLK1 P06870 1/20 0.40
KLK5 Q9Y337 1/20 0.40
TYK2 P29597 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL80183 0.87 ALDH1A1 (0.64) ALDH1A1DPP4PBRM1TSHRFEN1
Hydrochloric Acid SCHEMBL8042412 0.84 ALDH1A1 (0.61) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL1041643 0.84 ALDH1A1 (0.61) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL7425018 0.84 ALDH1A1 (0.61) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL29031767 0.83 ALDH1A1 (0.54) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL784920 0.80 TYK2 (0.55) ALDH1A1DPP4TYK2
Trifluoroacetic Acid SCHEMBL15569989 0.78 PBRM1 (0.50) ALDH1A1PBRM1TYK2TLR7MEN1
SCHEMBL23908712 0.78 ALDH1A1 (0.58) ALDH1A1DPP4PBRM1TSHRFEN1
SCHEMBL29570977 0.77 GAA (0.56) ALDH1A1DPP4TYK2TLR7MEN1
SCHEMBL695459 0.77 GAA (0.56) ALDH1A1DPP4TYK2TLR7MEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511178-B2 Hydroformylation of aqueous formaldehyde in the presence of a coordination catalyst preferably comprising rhodium dicarbonyl acetonylacetone and 2-phospha-2-icosyl-1,3,5,7-tetramethyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decane; hydrogenation of glycolaldehyde; catalyst selectivity; cost efficiency SHELL OIL COMPANY (US) 2009-03-31 US disclosed
US-20090012333-A1 Hydroformylation of aqueous formaldehyde in the presence of a coordination catalyst preferably comprising rhodium dicarbonyl acetonylacetone and 2-phospha-2-icosyl-1,3,5,7-tetramethyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decane; hydrogenating glycolaldehyde; catalyst selectivity; cost efficiency ALMEIDA LENERO KARINA QUETZALY 2009-01-08 US disclosed
US-7449607-B2 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group SHELL OIL COMPANY (US) 2008-11-11 US disclosed
US-20070249871-A1 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group SHELL OIL COMPANY (US) 2007-10-25 US disclosed
EP-1697291-A1 PROCESS FOR PREPARING GLYCOLALDEHYDE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2006-09-06 EP disclosed
WO-2005058788-A1 PROCESS OF PREPARING GLYCOLALDEHYDE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-06-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090012333-A1 Hydroformylation of aqueous formaldehyde in the presence of a coordination catalyst preferably comprising rhodium dicarbonyl acetonylacetone and 2-phospha-2-icosyl-1,3,5,7-tetramethyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decane; hydrogenating glycolaldehyde; catalyst selectivity; cost efficiency H1-0, H1-2, H1-10 ALDH1A1 117/4885DPP4 4517/4885PBRM1 1162/4885
US-20070249871-A1 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group PHOSPHO1, H1-2, H1-0 ALDH1A1 918/4885DPP4 4616/4885PBRM1 248/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.