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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL31016342

CCc1nc(C)oc1C(=O)Nc1nc2cc(C(=O)OC)cc(OC)c2n1C/C=C/Cn1c(NC(=O)c2oc(C)nc2CC)nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.70

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Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.70

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 SCHEMBL31016336 0.92 STING1 (0.75) STING1
SCHEMBL22151431 0.90 STING1 (0.76) STING1
Trifluoroacetic Acid SCHEMBL31016392 0.89 STING1 (0.57) STING1
Trifluoroacetic Acid SCHEMBL31016326 0.89 STING1 (0.57) STING1
SCHEMBL31016325 0.89 STING1 (0.76) STING1
SCHEMBL22150062 0.89 STING1 (0.74) STING1
Trifluoroacetic Acid SCHEMBL31016320 0.89 STING1 (0.60) STING1
SCHEMBL31016355 0.88 STING1 (0.72) STING1
Trifluoroacetic Acid SCHEMBL31016376 0.87 STING1 (0.74) STING1
SCHEMBL22149990 0.87 STING1 (0.87) STING1

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
EP-4673439-A1 STING AGONISTS CONTAINING HYDRAZIDE, HYDRAZINE, AND HYDROXAMIC ACID FUNCTIONAL GROUPS BioNTech SE (DE) 2026-01-07 — — EP disclosed
EP-4673445-A1 STING AGONISTS CONTAINING BENZYLIC ALCOHOL AND BENZYLIC AMINE FUNCTIONAL GROUPS BioNTech SE (DE) 2026-01-07 — — EP disclosed
WO-2024182414-A1 STING AGONISTS CONTAINING HYDRAZIDE, HYDRAZINE, AND HYDROXAMIC ACID FUNCTIONAL GROUPS BIONTECH US INC. (US) 2024-09-06 — — WO disclosed
WO-2024180103-A1 STING AGONISTS CONTAINING BENZYLIC ALCOHOL AND BENZYLIC AMINE FUNCTIONAL GROUPS BioNTech SE (DE) 2024-09-06 — — WO disclosed