Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30746015

NCCn1c(-c2ccc(C3=CCNCC3)cc2F)nnc1-c1ccc(C2=CCNCC2)cc1F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
P2RY14 Q15391 1/20 0.39
QDPR P09417 3/20 0.38
HTR2C P28335 5/20 0.38
SCN9A Q15858 1/20 0.36
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
KHK P50053 3/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
ERN1 O75460 1/20 0.35
SIGMAR1 Q99720 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
Trifluoroacetic Acid SCHEMBL30745992 0.92 P2RY14 (0.41) ALOX5APFEN1P2RY14QDPRHTR2C
SCHEMBL27007816 0.91 HTR2C (0.43) ALOX5APFEN1QDPRHTR2CKHK
Trifluoroacetic Acid SCHEMBL27128175 0.89 QDPR (0.39) ALOX5APFEN1P2RY14QDPRHTR2C
Trifluoroacetic Acid SCHEMBL27134405 0.87 P2RY14 (0.41) ALOX5APFEN1P2RY14QDPRHTR2C
Trifluoroacetic Acid SCHEMBL30745994 0.87 BRD4 (0.43) ALOX5APFEN1P2RY14QDPRHTR2C
Trifluoroacetic Acid SCHEMBL27148687 0.87 QDPR (0.37) ALOX5APFEN1P2RY14QDPRHTR2C
Trifluoroacetic Acid SCHEMBL27126561 0.86 ALOX5AP (0.39) ALOX5APFEN1P2RY14QDPRHTR2C
Trifluoroacetic Acid SCHEMBL30745990 0.86 BRD4 (0.43) ALOX5APFEN1P2RY14QDPRHTR2C
Trifluoroacetic Acid SCHEMBL27126926 0.85 ALOX5AP (0.41) ALOX5APFEN1P2RY14QDPRHTR2C
SCHEMBL27026011 0.84 QDPR (0.42) ALOX5APFEN1QDPRHTR2CKHK

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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 2024-01-18 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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA ALOX5AP 1911/4885FEN1 976/4885P2RY14 3799/4885

“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.