Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8553811

O=C(O)C(F)(F)F.O=C(O)COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCNC3)cc1OCc1ccccc1

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.79
ITGA2B P08514 12/20 0.79
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SMPD1 P17405 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PNMT P11086 2/20 0.35
CFD P00746 1/20 0.35
F11 P03951 1/20 0.35

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 SCHEMBL8556044 0.94 ITGB3 (0.90) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8553813 0.91 ITGB3 (0.69) ITGB3ITGA2BLTB4RLTB4R2TPSAB1
Trifluoroacetic Acid SCHEMBL8554757 0.89 ITGB3 (0.90) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7680039 0.89 ITGB3 (1.00) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8558868 0.89 ITGB3 (0.80) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8553208 0.88 ITGB3 (0.90) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8558553 0.87 ITGB3 (0.78) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8557188 0.87 ITGB3 (0.78) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8558560 0.87 ITGB3 (0.82) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8555282 0.86 ITGB3 (0.75) ITGB3ITGA2BTPSAB1TPSD1TPSG1

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