Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8556868

CC(=O)N(CCc1ccc(OCC(=O)O)c(OCC(=O)O)c1)Cc1cc2c(s1)CCNC2.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.46
ITGA2B P08514 10/20 0.46
PNMT P11086 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 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
Trifluoroacetic Acid SCHEMBL8554545 0.82 ITGB3 (0.50) ITGB3ITGA2BPNMTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL8554448 0.77 ITGB3 (0.66) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8556353 0.72 ITGB3 (0.65) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL7831422 0.71 ITGB3 (0.70) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8556044 0.69 ITGB3 (0.90) ITGB3ITGA2BPNMTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL17965645 0.68 PNMT (0.49) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8558868 0.67 ITGB3 (0.80) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8555202 0.67 ITGB3 (0.67) ITGB3ITGA2BPNMTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL8553811 0.67 ITGB3 (0.79) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8557188 0.66 ITGB3 (0.78) ITGB3ITGA2BPNMTKDM4ETPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed