Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30465005

NC(=O)CCCCC=O.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.41
SOAT1 P35610 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.38
CES1 P23141 3/20 0.37
CNR1 P21554 1/20 0.35
HIF1A Q16665 1/20 0.35
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 2/20 0.32
ABCC4 O15439 1/20 0.32
TSHR P16473 1/20 0.32
TBXAS1 P24557 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2077059 0.85
SCHEMBL5127507 0.83 FAAH (0.56) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL8812772 0.83 FAAH (0.56) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL6056944 0.83 FAAH (0.56) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL16915252 0.83 FAAH (0.56) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL25335744 0.83 FAAH (0.56) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL12655381 0.83 FAAH (0.56) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL1365131 0.83 FAAH (0.56) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL8812335 0.83 FAAH (0.56) FAAHSOAT1MEN1TP53CYP1A2
SCHEMBL5126817 0.83 FAAH (0.56) FAAHSOAT1MEN1TP53CYP1A2

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-116472268-A Compounds capable of binding to proteins and conjugates obtained from these compounds MC SAF公司 2023-07-21 CN disclosed