Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4673565

NC1(C2CC(=O)N(Cc3ccccc3)C2)CCC1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.42
P2RX7 Q99572 1/20 0.42
DPP4 P27487 2/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL4672410 0.91 HPGD (0.54) HPGDTSHRDPP4KMT2AALDH1A1
SCHEMBL4671695 0.72 KMT2A (0.45) HPGDTSHRHTTKMT2AALDH1A1
SCHEMBL27487700 0.70 KMT2A (0.43) HPGDTSHRDPP4KMT2AALDH1A1
SCHEMBL2525981 0.68 ALDH1A1 (0.60) HPGDTSHRHTTKMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL12493760 0.68 L3MBTL1 (0.78) HTTKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL1902358 0.68 SMN1; SMN2 (0.76) HPGDTSHRHTTKMT2AALDH1A1
SCHEMBL1665525 0.67 HPGD (0.56) HPGDTSHRHTTP2RX7DPP4
SCHEMBL4922178 0.67 HPGD (0.64) HPGDTSHRHTTDPP4KMT2A
SCHEMBL11021735 0.67 HPGD (0.64) HPGDTSHRHTTDPP4ALDH1A1
SCHEMBL31190825 0.67 HPGD (0.64) HPGDTSHRHTTDPP4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-1304329-A2 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-23 EP disclosed
US-5849757-A Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
CN-1179155-A Heterocyclic compounds DAIICHI PHARMACEUTICLA CO LTD (JP) 1998-04-15 CN disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed