Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29386325

CCCC(C)N.O=C(O)C(F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
DPP8 Q6V1X1 4/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP4 P27487 2/20 0.41
TP53 P04637 1/20 0.41

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 SCHEMBL28038604 0.88 OPRM1 (0.52) GABRPGABRDGABRA1GABRB1GABRG2
Tuaminoheptane SCHEMBL23174984 0.86 OPRM1 (0.61) TP53GRIK1SLC1A2SLC1A1GRIK2
Trifluoroacetic Acid SCHEMBL29226071 0.84 OPRM1 (0.59) TP53GRIK1GRIK2OPRM1S1PR1
Trifluoroacetic Acid SCHEMBL22230485 0.84 OPRM1 (0.59) TP53GRIK1GRIK2OPRM1S1PR1
Trifluoroacetic Acid SCHEMBL3555663 0.84 DPP8 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
Bicarbonate SCHEMBL10445562 0.84 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
Acetic Acid SCHEMBL5568574 0.81 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
Norvaline SCHEMBL29737476 0.81 SLC1A2 (0.52) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
Trifluoroacetic Acid SCHEMBL31581663 0.81 ALDH1A1 (0.44) DPP8DPP7DPP4GRIK1SLC1A3
Trifluoroacetic Acid SCHEMBL27978624 0.79 ALDH1A1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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-114040781-A Formulation of conjugate of TUBULYSIN derivative and cell binding molecule 杭州多禧生物科技有限公司 2022-02-11 CN disclosed