Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20569614

C=CC[N+](C)(C)CC=C.O=C([O-])C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 4/20 0.56
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31
ALDH1A1 P00352 1/20 0.30

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
Pivalate SCHEMBL2348692 0.85 BBOX1 (0.58) BBOX1KMT2AATMBCHEACHE
Bicarbonate SCHEMBL2512299 0.84 BBOX1 (0.61) BBOX1KMT2AATMBCHEACHE
Trifluoroacetic Acid SCHEMBL16108358 0.83 BBOX1 (0.39) BBOX1
Trifluoroacetamide SCHEMBL27807466 0.83 BBOX1 (0.43) BBOX1KMT2AATMBCHEACHE
Bicarbonate SCHEMBL2704202 0.82 BBOX1 (0.59) BBOX1KMT2AATMBCHEACHE
Acetic Acid SCHEMBL1056731 0.82 BBOX1 (0.59) BBOX1KMT2AATMBCHEACHE
SCHEMBL7651594 0.81 BBOX1 (0.46) BBOX1KMT2AATM
Acrylic Acid SCHEMBL2526435 0.80 BBOX1 (0.57) BBOX1KMT2AATMBCHEACHE
Bicarbonate SCHEMBL5911592 0.80 BBOX1 (0.57) BBOX1KMT2AATMBCHEACHE
Bicarbonate SCHEMBL2836768 0.80 BBOX1 (0.57) BBOX1KMT2AATMBCHEACHE

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
WO-2018216017-A1 CARBON DIOXIDE SENSORS COMPRISING POLY(IONIC LIQUID) TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2018-11-29 WO claimed
WO-2018216017-A1 CARBON DIOXIDE SENSORS COMPRISING POLY(IONIC LIQUID) TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2018-11-29 WO disclosed