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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28614914

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(CN)c21.O=C(O)C(F)(F)F

nearest known ligand 0.62

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.62
▸ TBK1 Q9UHD2 1/20 0.62
▸ CYP3A4 P08684 1/20 0.54

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 SCHEMBL29619920 1.00 STING1 (0.62) STING1TBK1CYP3A4
SCHEMBL19451708 0.95 STING1 (0.68) STING1TBK1
SCHEMBL20066454 0.90 STING1 (0.67) STING1TBK1
SCHEMBL20886132 0.89 STING1 (0.64) STING1TBK1
SCHEMBL22553335 0.89 STING1 (0.64) STING1TBK1
SCHEMBL19451766 0.89 STING1 (0.66) STING1TBK1
SCHEMBL23346489 0.89 STING1 (0.59) STING1TBK1
SCHEMBL19451616 0.89 STING1 (0.68) STING1TBK1
Formic Acid SCHEMBL29626075 0.88 STING1 (0.64) STING1TBK1
SCHEMBL19451741 0.88 STING1 (0.66) STING1TBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113549110-A Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-10-26 — — CN disclosed
CN-109608443-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-09-07 — — CN disclosed
CN-109071514-B Heterocyclic amides as protein modulators 葛兰素史密斯克莱知识产权发展有限公司 2021-07-06 — — CN disclosed
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