Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5105075

CCS(=O)(=O)N[C@H](COc1cccc(C(=N)N)c1)Cc1ccc(OC2CCN(C(C)=N)CC2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.57
▸ F2 P00734 4/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ PLG P00747 2/20 0.44
▸ PRSS1 P07477 2/20 0.44
▸ PRSS2 P07478 2/20 0.44
▸ PRSS3 P35030 2/20 0.44
▸ PLAT P00750 1/20 0.44

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
SCHEMBL14132317 0.95 F10 (0.59) F10F2KCNH2PRSS1
Trifluoroacetic Acid SCHEMBL5105528 0.94 F10 (0.54) F10F2KCNH2PLGPRSS1
Trifluoroacetic Acid SCHEMBL3896012 0.92 F10 (0.56) F10F2KCNH2PLG
Trifluoroacetic Acid SCHEMBL3900465 0.91 F10 (0.47) F10F2PLGPLAT
Trifluoroacetic Acid SCHEMBL3902709 0.90 F10 (0.56) F10F2KCNH2PLGPRSS1
Trifluoroacetic Acid SCHEMBL3895701 0.89 F10 (0.43) F10F2
Trifluoroacetic Acid SCHEMBL3912132 0.89 F10 (0.43) F10F2
Trifluoroacetic Acid SCHEMBL3896414 0.89 F10 (0.53) F10F2PLGPLAT
Trifluoroacetic Acid SCHEMBL3899879 0.89 F10 (0.55) F10F2KCNH2PLGPRSS1
Trifluoroacetic Acid SCHEMBL3903203 0.89 F10 (0.53) F10F2KCNH2PLGPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 — — US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 — — EP disclosed
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