Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29795709

CCC[N+](C)(C)CC.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
BBOX1 O75936 5/20 0.53
DNM1 Q05193 4/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
HSP90AA1 P07900 1/20 0.40
RAD52 P43351 1/20 0.40
FAAH O00519 5/20 0.33
CES1 P23141 4/20 0.33
CES2 O00748 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
HSD17B10 Q99714 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
Trifluoroacetic Acid SCHEMBL16699911 0.90 BBOX1 (0.57) BBOX1DNM1KMT2AHTTHSP90AA1
Trifluoroacetic Acid SCHEMBL3681791 0.83 BBOX1 (0.38) BBOX1KMT2AFAAHCES1CES2
Trifluoroacetic Acid SCHEMBL31514394 0.81 BLM (0.39) BBOX1DNM1KMT2AFAAHCES1
Trifluoroacetic Acid SCHEMBL27964077 0.81 SLC22A1 (0.38) BBOX1DNM1KMT2AFAAHCES1
Tetrapropylammonium SCHEMBL107306 0.80 SLC22A1 (0.48) KMT2AFAAHCES1CES2MEN1
Trifluoroacetic Acid SCHEMBL15355521 0.80 BBOX1 (0.41) BBOX1KMT2AFAAHCES1CES2
Bicarbonate SCHEMBL27983875 0.76 BBOX1 (0.65) BBOX1DNM1KMT2AHTTHSP90AA1
Trifluoroacetic Acid SCHEMBL1981477 0.75 DNM1 (0.44) BBOX1DNM1KMT2AHSP90AA1RAD52
Methacrylic Acid SCHEMBL29850066 0.75 BBOX1 (0.48) BBOX1DNM1KMT2AHTTHSP90AA1
Tetrylammonium SCHEMBL624492 0.75 TSHR (0.42) BBOX1KMT2AFAAHCES1CES2

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-20220257786-A1 MULTICELLULAR TARGETING LIPOSOME SHANGHAI JIAO TONG UNIVERSITY (CN) 2022-08-18 US disclosed
CN-114829390-A APOE gene therapy 康奈尔大学 2022-07-29 CN disclosed