Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30409897

N#Cc1ccccc1C1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
HTR2C P28335 6/20 0.50
IRAK4 Q9NWZ3 2/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 4/20 0.41
HTR1A P08908 3/20 0.41
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
P2RY14 Q15391 1/20 0.40
PLAT P00750 1/20 0.39

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
SCHEMBL1513147 0.87 HTR2C (0.55) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Hydrochloric Acid SCHEMBL4739383 0.85 HTR2C (0.56) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL20139888 0.81 HTR2C (0.49) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4053963 0.77 HTR2C (0.43) HTR2C
Trifluoroacetic Acid SCHEMBL8528751 0.77 SLC18A3 (0.69) KDM1AHTR2CSLC18A3SIGMAR1
Trifluoroacetic Acid SCHEMBL26599693 0.77 HTR2C (0.73) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
Trifluoroacetic Acid SCHEMBL27851317 0.77 KDM1A (0.48) KDM1AIRAK4
Hydrochloric Acid SCHEMBL20140199 0.76 HTR2C (0.45) HTR2C
Trifluoroacetic Acid SCHEMBL29566246 0.75 HTR2C (0.47) KDM1AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL3167985 0.75 ADRA1A (0.49)

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-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed