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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30309123

NCC1CCC(C(=O)N[C@@H](Cc2cccc(I)c2)C(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.56

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 13/20 0.56
▸ PLG P00747 7/20 0.51
▸ PRSS1 P07477 7/20 0.51
▸ PRSS2 P07478 7/20 0.51
▸ PRSS3 P35030 7/20 0.51
▸ PLAU P00749 1/20 0.49

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
SCHEMBL25963777 0.96 FOLH1 (0.60) FOLH1PLGPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL30309112 0.93 FOLH1 (0.57) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL25963776 0.89 FOLH1 (0.60) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679248 0.88 FOLH1 (0.60) FOLH1PLGPRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL30309095 0.88 FOLH1 (0.75) FOLH1
SCHEMBL25963630 0.88 FOLH1 (0.52) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679140 0.87 FOLH1 (0.60) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679395 0.86 FOLH1 (0.58) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679118 0.86 FOLH1 (0.64) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL29679138 0.86 FOLH1 (0.60) FOLH1PLGPRSS1PRSS2PRSS3

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
EP-4161585-A1 PSMA TARGETING UREA-BASED LIGANDS FOR PROSTATE CANCER RADIOTHERAPY AND IMAGING University of Copenhagen (DK) 2023-04-12 — — EP disclosed
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