Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6925459

CC(C)(NC(=O)OCc1ccccc1)C(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CTSS P25774 3/20 0.45
PLAU P00749 5/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
LMNA P02545 1/20 0.43
CTSK P43235 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL2268248 0.93 MEN1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL503402 0.84 MEN1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL1150661 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL8267137 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL1150660 0.82 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL12590895 0.82 MEN1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL3277964 0.82 MEN1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL10349980 0.81 ALDH1A1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2CA12
Trifluoroacetic Acid SCHEMBL6757610 0.81 MEN1 (0.47) MEN1KMT2ASMN1; SMN2CTSSLMNA
Hydrochloric Acid SCHEMBL3277959 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003099810-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-12-04 WO disclosed
EP-1347784-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION Bristol-Myers Squibb Pharma Company (US) 2003-10-01 EP disclosed
WO-2002036173-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-10 WO disclosed
EP-0999856-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION Du Pont Pharmaceuticals Company (US) 2000-05-17 EP disclosed
WO-1998015295-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-16 WO disclosed