Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29906604

O=C(O)C(F)(F)F.O=C(O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2)c1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.56
KLKB1 P03952 5/20 0.41
HSD17B10 Q99714 1/20 0.39
EGLN1 Q9GZT9 4/20 0.38

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 SCHEMBL23830267 1.00 BTK (0.56) BTKKLKB1HSD17B10EGLN1
SCHEMBL18816755 0.95 BTK (0.60) BTKKLKB1HSD17B10EGLN1
SCHEMBL23769517 0.95 BTK (0.60) BTKKLKB1HSD17B10EGLN1
SCHEMBL20549625 0.94 BTK (0.59) BTKKLKB1HSD17B10EGLN1
SCHEMBL23774014 0.86 BTK (0.59) BTKKLKB1HSD17B10
SCHEMBL23830268 0.86 BTK (0.54) BTKKLKB1
Trifluoroacetic Acid SCHEMBL31075300 0.85 HSD17B10 (0.43) BTKKLKB1HSD17B10EGLN1
Trifluoroacetic Acid SCHEMBL29906618 0.84 BTK (0.49) BTKKLKB1HSD17B10EGLN1
Trifluoroacetic Acid SCHEMBL23830173 0.84 BTK (0.49) BTKKLKB1HSD17B10EGLN1
SCHEMBL18795023 0.83 BTK (0.59) BTKKLKB1

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-116120287-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2025-01-28 CN disclosed
CN-116120287-A Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2023-05-16 CN disclosed
CN-115052873-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-13 CN disclosed