Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18978992

O=C(O)C(F)(F)F.O=Cc1csc(C2CCNCC2)n1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
BAZ2A Q9UIF9 3/20 0.41
HPGDS O60760 1/20 0.39
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
SHMT1 P34896 1/20 0.32
SHMT2 P34897 1/20 0.32
PARP1 P09874 1/20 0.32
PLAT P00750 2/20 0.31
HTR2B P41595 1/20 0.31
HTR2C P28335 2/20 0.31
P2RY14 Q15391 1/20 0.30
CDK4 P11802 1/20 0.30
CDK2 P24941 1/20 0.30
CDK5 Q00535 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
SCHEMBL491234 0.88 HPGDS (0.44) AOC3BAZ2AHPGDSHRH4HRH3
Hydrochloric Acid SCHEMBL29756 0.86 HPGDS (0.43) AOC3BAZ2AHPGDSHRH4HRH3
Hydrochloric Acid SCHEMBL15717196 0.86 HPGDS (0.43) AOC3BAZ2AHPGDSHRH4HRH3
SCHEMBL23378641 0.82 HPGDS (0.40) AOC3BAZ2AHPGDSHRH4MEN1
SCHEMBL1064089 0.77 HTR2B (0.39) BAZ2AHPGDSHTR2B
SCHEMBL20583019 0.75 GPR119 (0.33)
SCHEMBL3687239 0.73 HPGDS (0.44) AOC3BAZ2AHPGDSHRH4HRH3
SCHEMBL1042847 0.73 FAAH (0.38) BAZ2A
SCHEMBL491211 0.72 HPGDS (0.46) AOC3BAZ2AHPGDSMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2834885 0.72 HPGDS (0.81) AOC3BAZ2AHPGDSPLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702411-A Method for producing 1, 2-benzenedimethanol compound 高文作物保护公司 2022-07-05 CN disclosed
CN-108602765-B Method for producing 1, 2-benzenedimethanol compound 高文有限公司 2022-05-03 CN disclosed
EP-3181563-B1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS BIOTECH CORP (JP) 2019-02-06 EP disclosed
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them SDS BIOTECH K.K. (JP) 2018-10-23 US disclosed
US-20180235225-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2018-08-23 US disclosed
US-9980487-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them SDS BIOTECH K.K. (JP) 2018-05-29 US disclosed
US-20170231226-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM SDS BIOTECH K.K. (JP) 2017-08-17 US disclosed
EP-3181563-A1 CONDENSED 11-MEMBER RING COMPOUND AND AGRICULTURE AND HORTICULTURAL FUNGICIDE COMPRISING SAME SDS Biotech K. K. (JP) 2017-06-21 EP 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 (3 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-20170231226-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM CYP51A1, CYP4Z1, ERG28 AOC3 1357/4885BAZ2A 745/4885HPGDS 4553/4885
US-10104891-B2 Fused 11-membered compounds and agricultural/horticultural fungicides containing them CYP51A1, CYP4Z1, ERG28 AOC3 1357/4885BAZ2A 745/4885HPGDS 4553/4885
US-20180235225-A1 FUSED 11-MEMBERED COMPOUNDS AND AGRICULTURAL/HORTICULTURAL FUNGICIDES CONTAINING THEM CYP51A1, CYP4Z1, ERG28 AOC3 1357/4885BAZ2A 745/4885HPGDS 4553/4885

“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.