Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28849397

O=C(O)C(F)(F)F.O=C(O)n1ccc2ccccc21

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NOTUM Q6P988 1/20 0.56
KMT2A Q03164 2/20 0.45
TFPI2 P48307 1/20 0.43
NPY4R P50391 1/20 0.43
GAA P10253 1/20 0.40
IDH2 P48735 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL931955 0.89 TSHR (0.69) TSHRRAB9AL3MBTL1NOTUMKMT2A
SCHEMBL29453277 0.89 TSHR (0.69) TSHRRAB9AL3MBTL1NOTUMKMT2A
Hydrochloric Acid SCHEMBL20610213 0.87 TSHR (0.67) TSHRRAB9AL3MBTL1NOTUMKMT2A
Iodide SCHEMBL30801070 0.87 TSHR (0.67) TSHRRAB9AL3MBTL1NOTUMKMT2A
Methane SCHEMBL1173679 0.87 TSHR (0.67) TSHRRAB9AL3MBTL1NOTUMKMT2A
SCHEMBL6628956 0.87 TSHR (0.67) TSHRRAB9AL3MBTL1NOTUMKMT2A
Bromide SCHEMBL19150274 0.87 TSHR (0.67) TSHRRAB9AL3MBTL1NOTUMKMT2A
Oxalic Acid SCHEMBL9806412 0.85 TSHR (0.65) TSHRRAB9AL3MBTL1NOTUMKMT2A
Cyanide SCHEMBL22418732 0.84 TSHR (0.62) TSHRRAB9AL3MBTL1NOTUMKMT2A
SCHEMBL9017035 0.82 NOTUM (0.59) TSHRRAB9AL3MBTL1NOTUMKMT2A

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-107108512-A Therapeutic compound and application thereof 基因泰克公司 2017-08-29 CN disclosed