Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30453631

O=C(O)C(F)(F)F.O=CNCCc1ccccn1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
HRH3 Q9Y5N1 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 2/20 0.44
DPP7 Q9UHL4 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 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
SCHEMBL349765 0.87 HRH3 (0.59) LMNATDP1HRH3RAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL3716650 0.78 HRH1 (0.68) LMNATDP1L3MBTL1HTTALOX15
SCHEMBL3716649 0.78 L3MBTL1 (0.64) LMNATDP1L3MBTL1HTTHRH3
SCHEMBL1855946 0.77 CHRM2 (0.53) LMNATDP1HRH3ALDH1A1TAAR1
SCHEMBL4779999 0.77 HRH1 (0.54) LMNATDP1HRH3ALDH1A1TAAR1
Trifluoroacetic Acid SCHEMBL30169036 0.76 ITGB3 (0.42) L3MBTL1HTTRAB9ACYP1A2CYP2C19
Trifluoroacetic Acid SCHEMBL28359404 0.74 SMN1; SMN2 (0.52) LMNATDP1RAB9AALDH1A1ALOX15
Trifluoroacetic Acid SCHEMBL27938747 0.74 CYP1A2 (0.52) LMNATDP1CYP1A2CYP2C19CYP2D6
Trifluoroacetic Acid SCHEMBL20479965 0.74 PTPRA (0.47) RAB9ACYP1A2CYP2C19CYP2D6SMN1; SMN2
Trifluoroacetic Acid SCHEMBL9571825 0.74 CYP1A2 (0.48) RAB9AALDH1A1CYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed