Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16759246

O=C(O)C(F)(F)F.O=C(O)c1cc(C2CC2)c(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)cc1F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 19/20 0.56
▸ CCR3 P51677 19/20 0.56
▸ KCNH2 Q12809 12/20 0.56
▸ SCN9A Q15858 1/20 0.46

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
SCHEMBL16770993 0.95 HRH1 (0.61) HRH1CCR3KCNH2SCN9A
Trifluoroacetic Acid SCHEMBL28336567 0.91 HRH1 (0.45) HRH1CCR3KCNH2SCN9A
SCHEMBL16771133 0.90 HRH1 (0.50) HRH1CCR3KCNH2SCN9A
Trifluoroacetic Acid SCHEMBL16759040 0.89 SSTR5 (0.47) HRH1CCR3KCNH2SCN9A
Hydrochloric Acid SCHEMBL17062149 0.89 HRH1 (0.49) HRH1CCR3KCNH2SCN9A
Trifluoroacetic Acid SCHEMBL16759039 0.88 SCN9A (0.56) HRH1CCR3KCNH2SCN9A
SCHEMBL28338328 0.88 HRH1 (0.49) HRH1CCR3KCNH2SCN9A
Trifluoroacetic Acid SCHEMBL28338837 0.88 ADRB2 (0.47) HRH1CCR3KCNH2SCN9A
Trifluoroacetic Acid SCHEMBL16759198 0.87 SCN9A (0.59) HRH1CCR3KCNH2SCN9A
SCHEMBL16770800 0.87 SCN9A (0.53) HRH1CCR3KCNH2SCN9A

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-105793238-B Substituted benzamides and methods of use thereof 基因泰克公司 2019-12-24 — — CN disclosed
EP-3074377-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-10-05 — — EP disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 — — WO disclosed
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