Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29956248

CC(=O)N[C@@H](CCCN=C(N)N)B(O)O.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 8/20 0.63
▸ CHRM2 P08172 1/20 0.48
▸ CHRM4 P08173 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ PLG P00747 1/20 0.46
▸ PLAT P00750 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PDF Q9HBH1 1/20 0.45
▸ F10 P00742 4/20 0.43
▸ NOS2 P35228 3/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA2 P00918 1/20 0.40

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 SCHEMBL31741398 0.78 SIRT5 (0.59) CHRM2CHRM4CHRM1PDFCA12
SCHEMBL29521677 0.72 CHRM2 (0.68) F2CHRM2CHRM4CHRM1NOS2
SCHEMBL16748402 0.72 CHRM2 (0.68) F2CHRM2CHRM4CHRM1NOS2
Water SCHEMBL30600465 0.71 CHRM2 (0.66) F2CHRM2CHRM4CHRM1NOS2
SCHEMBL14117893 0.70 CHRM2 (0.69) F2CHRM2CHRM4CHRM1NOS2
Leupeptin SCHEMBL29405406 0.70 SMN1; SMN2 (0.48) CHRM2CHRM4CHRM1PDFTSHR
SCHEMBL10953252 0.68 DPP7 (0.64) F2CTRB1
SCHEMBL13337947 0.67 CHRM2 (0.64) F2CHRM2CHRM4CHRM1NOS2
SCHEMBL29546257 0.67 CHRM2 (0.64) F2CHRM2CHRM4CHRM1NOS2
SCHEMBL29393341 0.66 SIRT5 (0.64) F2CHRM2CHRM4CHRM1CA1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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