Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30680968

COC(=O)c1cc2c(N)cccn2n1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CFTR P13569 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
TP53 P04637 4/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LDHA P00338 1/20 0.37
MAPT P10636 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 3/20 0.36
PKM P14618 2/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL3460031 0.77 SPR (0.47) ALDH1A1KDM4EADORA3TP53POLB
SCHEMBL3459056 0.77 APOBEC3A (0.49) ALDH1A1KDM4ETDP1MAPTNPC1
SCHEMBL30680974 0.75 ADORA3 (0.44) ALDH1A1KDM4ESMN1; SMN2ADORA3TP53
SCHEMBL30680957 0.70 BRD9 (0.45) ADORA3TP53POLBTDP1NPC1
Trifluoroacetic Acid SCHEMBL5441300 0.70 KDR (0.35)
SCHEMBL4869136 0.67 TP53 (0.67) KDM4ESMN1; SMN2TP53POLBTDP1
SCHEMBL3461693 0.67 TP53 (0.43) ALDH1A1KDM4ESMN1; SMN2CFTRTP53
SCHEMBL3461691 0.66 HPGD (0.44) ALDH1A1KDM4ESMN1; SMN2CFTRTP53
SCHEMBL22148137 0.65 CA12 (0.46) KDM4ESMN1; SMN2TP53POLBMAPT
Trifluoroacetic Acid SCHEMBL27604316 0.65 MAPT (0.56) ALDH1A1KDM4ESMN1; SMN2POLBMAPT

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
WO-2023244672-A1 2-(IMIDAZO[1, 2-A]1,8-NAPHTHYRIDIN-8-YL)-1,3,4-OXADIAZOLE DERIVATIVES AS ENHANCERS OF INNATE IMMUNE RESPONSE FOR THE TREATMENT OF VIRAL INFECTIONS ASSEMBLY BIOSCIENCES, INC. (US) 2023-12-21 WO disclosed