Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4014372

CC(=O)NCCC1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.44
ITGA2B P08514 9/20 0.44
CHRM3 P20309 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM2 P08172 1/20 0.43
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
ALOX15 P16050 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
F2R P25116 4/20 0.37
PRMT3 O60678 1/20 0.36
ROCK2 O75116 1/20 0.36
NAMPT P43490 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL1037980 0.90 ALOX15 (0.47) ITGB3ITGA2BCHRM3CHRM1CHRM2
Hydrochloric Acid SCHEMBL7417264 0.89 ALOX15 (0.46) ITGB3ITGA2BCHRM3CHRM1CHRM2
Trifluoroacetic Acid SCHEMBL4007510 0.86 ALOX15 (0.53) CHRM3CHRM1CHRM2ALOX15
SCHEMBL27922989 0.80 SLC6A1 (0.47) ITGB3ITGA2BCHRM3CHRM1CHRM2
SCHEMBL5624128 0.80 NAMPT (0.48) ITGB3ITGA2BALOX15PRMT3NAMPT
SCHEMBL12965576 0.80 ALDH1A1 (0.48) ITGB3ITGA2BCHRM3CHRM1CHRM2
SCHEMBL1290747 0.78 ITGB3 (0.51) ITGB3ITGA2BCHRM3CHRM1CHRM2
SCHEMBL5392965 0.77
Trifluoroacetic Acid SCHEMBL28044634 0.77 GABRA5 (0.43) ITGB3ITGA2BALOX15HRH4HRH3
Hydrochloric Acid SCHEMBL20771047 0.76 ITGB3 (0.50) ITGB3ITGA2BCHRM3CHRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 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 (1 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 ITGB3 4376/4885ITGA2B 3529/4885CHRM3 1883/4885

“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.