Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8669184

CC(=O)C(Oc1ccccc1OCC(=O)O)(C(=O)O)N1CCN(C2CCNCC2)CC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
F2 P00734 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
SSTR4 P31391 4/20 0.33
SSTR1 P30872 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL8670654 0.97 ITGB3 (0.35) ITGB3ITGA2BSLC6A4SLC6A2KDM4E
Trifluoroacetic Acid SCHEMBL8673934 0.87 KDM4E (0.37) ITGB3ITGA2BSLC6A4SLC6A2F2
SCHEMBL8667156 0.83 POLB (0.38) ITGB3ITGA2BKDM4EALDH1A1L3MBTL1
SCHEMBL8670582 0.82 SSTR4 (0.36) ITGB3ITGA2BKDM4EALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL8673962 0.80
Trifluoroacetic Acid SCHEMBL9029743 0.73 ITGB3 (0.48) ITGB3ITGA2BPTGDR2
Trifluoroacetic Acid SCHEMBL8668526 0.70 CHRM3 (0.35) ITGB3ITGA2BF2KDM4EALDH1A1
SCHEMBL8666641 0.70 SSTR4 (0.37) SLC6A4SLC6A2SSTR4SSTR1
SCHEMBL8668015 0.69 SSTR4 (0.38) SLC6A4SLC6A2KDM4EL3MBTL1SSTR4
Hydrochloric Acid SCHEMBL8670941 0.69 SSTR4 (0.36) SLC6A4SLC6A2SSTR4SSTR1

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-5814636-A TREATMENT AND PROPHYLAXIS OF THROMBOTIC DISEASES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-09-29 US disclosed