Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7003348

O=C(O)C(F)(F)F.O=C1C=C2C(=Nc3ccccc32)C(=O)C1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APAF1 O14727 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TSHR P16473 1/20 0.34
HK1 P19367 1/20 0.34
GALK1 P51570 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
GAA P10253 2/20 0.32
IDO1 P14902 1/20 0.32
SRC P12931 2/20 0.32
CTRB1 P17538 2/20 0.32
CCNE1 P24864 2/20 0.32

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
SCHEMBL7007833 0.87 MAPT (0.38) MAPTALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7004542 0.86 MAPT (0.37) MAPTALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7004514 0.86 MAPT (0.37) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7002550 0.81 ALDH1A1 (0.38) MAPTALDH1A1MEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL6241485 0.73 MAPT (0.35) MAPTALDH1A1MEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL28036587 0.66 CES1 (0.34) L3MBTL1GAATDP1
Trifluoroacetic Acid SCHEMBL7485782 0.66 MEN1 (0.32) MAPTALDH1A1MEN1KMT2ALMNA
Anthraquinone SCHEMBL7263957 0.64 MEN1 (0.57) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2233984 0.63 MAPT (0.38) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30019213 0.63 ABCG2 (0.62) MAPTALDH1A1MEN1KMT2ALMNA

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
EP-1325011-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2003-07-09 EP disclosed
WO-2002028861-A2 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES ELI LILLY AND COMPANY (US) 2002-04-11 WO disclosed