Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1233689

Nc1nc2cc(OCc3ccccc3)ccc2c2c1nc1n2CCCNC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.41
CYP8B1 Q9UNU6 1/20 0.36
PRMT5 O14744 1/20 0.35
TLR7 Q9NYK1 2/20 0.35
METTL3 Q86U44 1/20 0.35
TLR8 Q9NR97 1/20 0.34
BTK Q06187 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
SRD5A2 P31213 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AR P10275 1/20 0.34

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
Hydrochloric Acid SCHEMBL1233327 0.92 MCHR1 (0.44) MCHR1PRMT5
SCHEMBL1231771 0.87 MCHR1 (0.50) MCHR1PRMT5TLR7
Hydrochloric Acid SCHEMBL1232748 0.86 MCHR1 (0.49) MCHR1PRMT5TLR7
SCHEMBL1232966 0.78 MCHR1 (0.49) MCHR1PRMT5
SCHEMBL1233426 0.77 TLR9 (0.42) CYP8B1PRMT5TLR7
SCHEMBL1233029 0.76 TLR7 (0.37) MCHR1PRMT5TLR7TLR8
SCHEMBL1231794 0.75 TLR9 (0.44) CYP8B1PRMT5TLR7
SCHEMBL311081 0.75 PRKDC (0.43) PRMT5ALDH1A1
Hydrochloric Acid SCHEMBL1233122 0.75 TLR7 (0.40) TLR7TLR8KDM4EALDH1A1CYP1A2
SCHEMBL1233364 0.73 PRMT5 (0.39) MCHR1PRMT5TLR7TLR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 MCHR1 2512/4885CYP8B1 3218/4885PRMT5 630/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.