Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6521595

CCCCN(CCNCCc1ccc(O)c2c1OCC(=O)N2)C(=O)CCOCCc1ccccc1OCCN1CCC2(CC1)CN(C(=O)c1csc(C(C)C)n1)CCO2.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.41
CHRM2 P08172 6/20 0.41
ADRB2 P07550 9/20 0.37
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SMYD2 Q9NRG4 4/20 0.34
ADRB1 P08588 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
SCHEMBL12789312 0.97 CHRM3 (0.43) CHRM3CHRM2ADRB2DRD2DRD1
SCHEMBL6521586 0.93 CHRM2 (0.41) CHRM3CHRM2ADRB2DRD2DRD1
Trifluoroacetic Acid SCHEMBL6522142 0.92 CHRM3 (0.41) CHRM3CHRM2ADRB2DRD2DRD1
Trifluoroacetic Acid SCHEMBL6523373 0.91 CHRM2 (0.42) CHRM3CHRM2ADRB2DRD2DRD1
SCHEMBL12846730 0.89 CHRM3 (0.44) CHRM3CHRM2ADRB2DRD2DRD1
Trifluoroacetic Acid SCHEMBL6527403 0.89 CHRM3 (0.44) CHRM3CHRM2ADRB2DRD2DRD1
Trifluoroacetic Acid SCHEMBL6523286 0.88 CHRM3 (0.46) CHRM3CHRM2ADRB2SMYD2
SCHEMBL1245050 0.88 CHRM2 (0.44) CHRM3CHRM2ADRB2DRD2DRD1
Trifluoroacetic Acid SCHEMBL6525813 0.87 CHRM3 (0.45) CHRM3CHRM2ADRB2DRD2DRD1
Trifluoroacetic Acid SCHEMBL6519672 0.87 CHRM3 (0.45) CHRM3CHRM2ADRB2DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM3 97/4885CHRM2 157/4885ADRB2 2/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM3 97/4885CHRM2 157/4885ADRB2 2/4885

“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.