Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17019863

O=C(O)C(F)(F)F.[O-][S+]1CCc2nc(N3CCN(c4ccncc4)CC3)nc(NC3CCOCC3)c21

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 8/20 0.40
▸ WHR1 P49842 3/20 0.37
▸ RET P07949 2/20 0.36
▸ ROS1 P08922 2/20 0.36
▸ FLT3 P36888 2/20 0.36
▸ EML4 Q9HC35 2/20 0.36
▸ ALK Q9UM73 2/20 0.36
▸ SLC2A1 P11166 2/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL194991 0.91 PDE4D (0.35) RETROS1FLT3EML4ALK
Trifluoroacetic Acid SCHEMBL16924607 0.82 GPR6 (0.35) GPR6WHR1RETROS1FLT3
SCHEMBL8051590 0.82 PDE4D (0.36) PDE4D
SCHEMBL10265576 0.81 EML4 (0.36) RETROS1FLT3EML4ALK
SCHEMBL589081 0.81 MAPT (0.38) RETROS1FLT3EML4ALK
Trifluoroacetic Acid SCHEMBL15808520 0.80 SLC2A1 (0.36) SLC2A1ITGB3ITGA2B
SCHEMBL187336 0.79 GPR6 (0.38) GPR6PDE4D
SCHEMBL9268585 0.79 CSNK1D (0.38) ALK
Trifluoroacetic Acid SCHEMBL15808556 0.79 SLC2A1 (0.35) GPR6WHR1SLC2A1ITGB3ITGA2B
SCHEMBL589617 0.79 LMNA (0.43) EML4ALKPDE4D

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
US-9115142-B2 Heterocycle-substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-25 — — US disclosed
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