Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7986156

CCOC(=O)Cc1sc2c(c1C(F)(F)F)CN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=N)N)cc1)CC2.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.51
ITGA2B P08514 9/20 0.51
ADORA1 P30542 1/20 0.39
LMNA P02545 1/20 0.38
CA2 P00918 1/20 0.37
P2RX7 Q99572 2/20 0.36
HCRTR2 O43614 3/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR1 O43613 1/20 0.33

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 SCHEMBL7989524 0.94 ITGB3 (0.52) ITGB3ITGA2BADORA1LMNACA2
Trifluoroacetic Acid SCHEMBL7986955 0.91 ITGB3 (0.49) ITGB3ITGA2BADORA1LMNACA2
SCHEMBL7992652 0.90 ITGB3 (0.54) ITGB3ITGA2BADORA1LMNACA2
SCHEMBL7975280 0.86 ADORA1 (0.49) ITGB3ITGA2BADORA1LMNAP2RX7
Trifluoroacetic Acid SCHEMBL8133864 0.86 ITGB3 (0.55) ITGB3ITGA2BADORA1LMNACA2
SCHEMBL7990344 0.83 ADORA1 (0.38) ITGB3ITGA2BADORA1LMNACA2
SCHEMBL7988424 0.82 ITGB3 (0.57) ITGB3ITGA2BADORA1LMNACA2
Hydrochloric Acid SCHEMBL7986317 0.81 ITGB3 (0.56) ITGB3ITGA2BADORA1LMNACA2
Trifluoroacetic Acid SCHEMBL7975402 0.81 ITGB3 (0.62) ITGB3ITGA2BADORA1LMNACA2
Trifluoroacetic Acid SCHEMBL7986776 0.81 ITGB3 (0.59) ITGB3ITGA2BADORA1LMNACA2

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed