Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL22345280

COC(=O)CCC(=O)C[n+]1ccc(-c2ncccn2)cn1.O=C([O-])C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
APOBEC3A P31941 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
Trifluoroacetic Acid SCHEMBL20743591 0.91 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNAHPGDCYP1A2
SCHEMBL20753267 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
Trifluoroacetic Acid SCHEMBL29019640 0.82 KDM4E (0.32) ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL20744248 0.82 CYP2A6 (0.31)
SCHEMBL20753588 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAHPGDTSHR
Bromide SCHEMBL20743531 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
Trifluoroacetic Acid SCHEMBL20743981 0.81 TSHR (0.32) ALDH1A1HPGDTSHRKMT2AMEN1
Trifluoroacetic Acid SCHEMBL20744312 0.81 ESR1 (0.30)
SCHEMBL22350875 0.79 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAHPGDTSHR
SCHEMBL22345285 0.79 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220104492-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2022-04-07 US disclosed
EP-3924347-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH Syngenta Crop Protection AG (CH) 2021-12-22 EP disclosed
CN-113439081-A Pyridazinium compounds for use in methods of controlling unwanted plant growth 先正达农作物保护股份公司 2021-09-24 CN disclosed
WO-2020164973-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH SYNGENTA CROP PROTECTION AG (CH) 2020-08-20 WO 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-20220104492-A1 PYRIDAZINIUM COMPOUNDS FOR USE IN A METHOD OF CONTROLLING UNWANTED PLANT GROWTH DDT, PNPO, PLPBP ALDH1A1 846/4885SMN1; SMN2 4326/4885LMNA 3695/4885

“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.