Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7989461

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)COC1CCNCC1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.53
ITGA2B P08514 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
P2RX7 Q99572 1/20 0.33
HCRTR2 O43614 2/20 0.32
RAB9A P51151 1/20 0.32
P2RY12 Q9H244 1/20 0.32
ADORA1 P30542 1/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7989383 0.96 ITGB3 (0.54) ITGB3ITGA2BSMN1; SMN2ALDH1A1ATM
SCHEMBL7986273 0.87 ITGB3 (0.52) ITGB3ITGA2BSMN1; SMN2ALDH1A1ATM
Trifluoroacetic Acid SCHEMBL7989642 0.82 ITGB3 (0.79) ITGB3ITGA2BSMN1; SMN2P2RX7HCRTR2
SCHEMBL7988313 0.82 ITGB3 (0.59) ITGB3ITGA2BSMN1; SMN2P2RX7RAB9A
Trifluoroacetic Acid SCHEMBL7993134 0.81 ITGB3 (0.68) ITGB3ITGA2BP2RX7HCRTR2ADORA1
Trifluoroacetic Acid SCHEMBL7985744 0.80 ITGB3 (0.67) ITGB3ITGA2BP2RX7HCRTR2P2RY12
Trifluoroacetic Acid SCHEMBL7993427 0.80 ITGB3 (0.67) ITGB3ITGA2BP2RX7HCRTR2
Hydrochloric Acid SCHEMBL7986192 0.79 ITGB3 (0.39) ITGB3ITGA2BALDH1A1P2RX7HCRTR2
Trifluoroacetic Acid SCHEMBL7975186 0.79 ITGB3 (0.66) ITGB3ITGA2BALDH1A1P2RX7HCRTR2
Trifluoroacetic Acid SCHEMBL7986769 0.79 ITGB3 (0.65) ITGB3ITGA2BP2RX7HCRTR2P2RY12

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