Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2532003

CC(C)[O-].CC(C)[O-].O=C([O-])C(F)(F)F.[Al+3]

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
CA1 P00915 3/20 0.32
CA4 P22748 1/20 0.31

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 SCHEMBL496700 0.84 CA4 (0.38) CA2CA1CA4
Trifluoroacetic Acid SCHEMBL29039865 0.81 CA4 (0.36) CA2CA1CA4
Trifluoroacetic Acid SCHEMBL9296832 0.81 CA4 (0.36) CA2CA1CA4
Trifluoroacetic Acid SCHEMBL28135098 0.78 CA1 (0.38) CA2CA1CA4
Trifluoroacetic Acid SCHEMBL11639909 0.78 CA4 (0.35) CA2CA4
Trifluoroacetic Acid SCHEMBL4528375 0.77 CA4 (0.38) CA2CA1CA4
Trifluoroacetic Acid SCHEMBL20541013 0.77 CA4 (0.38) CA2CA1CA4
Trifluoroacetic Acid SCHEMBL282294 0.77
Trifluoroacetic Acid SCHEMBL20569660 0.77 CA4 (0.38) CA2CA1CA4
Trifluoroacetic Acid SCHEMBL20571141 0.77 CA4 (0.38) CA2CA1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165421-A1 4-[17BETA-METHOXY-17ALPHA-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11-BETA-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) Bayer Pharma AG (DE) 2013-06-27 US claimed
US-8324412-B2 Method for preparing 4-[17β-methoxy-17α-methoxymethyl-3-oxoestra-4,9-dien-11β-yl]benzaldehyde (E)-oxime (asoprisnil) Bayer Pharma AG (DE) 2012-12-04 US claimed
US-20110257142-A1 METHOD FOR PREPARING 4-[17BETA-METHOXY-17ALPHA-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11-BETA-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-10-20 US claimed
CN-101466724-A Method for preparing 4-[17beta-methoxy-17alpha-methoxymethyl-3-oxoestra-4,9-dien-11beta-yl]benzaldehyde-(E)-oxime (Asoprisnil) BAYER SCHERING PHARMA AG (DE) 2009-06-24 CN claimed
US-20090054387-A1 Method for preparing 4-[17beta-methoxy-17alpha-methoxymethyl-3-oxestra-4,9-dien-11beta-yl]benzaldehyde (E)-oxime (asoprisnil) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-26 US claimed
EP-2010555-A2 METHOD FOR PREPARING 4-[17BETA -METHOXY-17 -ALPHA METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11BETA -YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-07 EP claimed
WO-2007118717-A2 METHOD FOR PREPARING 4-[17β-METHOXY-17α-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11β-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-25 WO claimed
US-20130165421-A1 4-[17BETA-METHOXY-17ALPHA-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11-BETA-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) Bayer Pharma AG (DE) 2013-06-27 US disclosed
US-8324412-B2 Method for preparing 4-[17β-methoxy-17α-methoxymethyl-3-oxoestra-4,9-dien-11β-yl]benzaldehyde (E)-oxime (asoprisnil) Bayer Pharma AG (DE) 2012-12-04 US disclosed
US-20110257142-A1 METHOD FOR PREPARING 4-[17BETA-METHOXY-17ALPHA-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11-BETA-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-10-20 US disclosed
US-20090054387-A1 Method for preparing 4-[17beta-methoxy-17alpha-methoxymethyl-3-oxestra-4,9-dien-11beta-yl]benzaldehyde (E)-oxime (asoprisnil) BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-26 US disclosed
EP-2010555-A2 METHOD FOR PREPARING 4-[17BETA -METHOXY-17 -ALPHA METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11BETA -YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) Bayer Schering Pharma Aktiengesellschaft (DE) 2009-01-07 EP disclosed
WO-2007118717-A2 METHOD FOR PREPARING 4-[17β-METHOXY-17α-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11β-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-10-25 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 (3 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-20090054387-A1 Method for preparing 4-[17beta-methoxy-17alpha-methoxymethyl-3-oxestra-4,9-dien-11beta-yl]benzaldehyde (E)-oxime (asoprisnil) CYP19A1, CYP2C19, CYP17A1 CA2 3189/4885CA1 2924/4885CA4 1562/4885
US-20130165421-A1 4-[17BETA-METHOXY-17ALPHA-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11-BETA-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) CYP19A1, CYP2C19, CYP17A1 CA2 3203/4885CA1 3440/4885CA4 1889/4885
US-20110257142-A1 METHOD FOR PREPARING 4-[17BETA-METHOXY-17ALPHA-METHOXYMETHYL-3-OXOESTRA-4,9-DIEN-11-BETA-YL]BENZALDEHYDE (E)-OXIME (ASOPRISNIL) CYP19A1, CYP2C19, CYP17A1 CA2 3602/4885CA1 3709/4885CA4 2069/4885

“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.