Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8438508

NCC(=O)NCCC(=O)OCc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
MMP2 P08253 1/20 0.44
HTT P42858 1/20 0.43
LTA4H P09960 1/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL23518457 0.92 ALDH1A1 (0.51) HRH4L3MBTL1ALDH1A1MAPK1MMP2
Trifluoroacetic Acid SCHEMBL7758264 0.88 MEN1 (0.49) L3MBTL1ALDH1A1MAPK1MMP2LTA4H
SCHEMBL7301249 0.84 ALDH1A1 (0.51) HRH4L3MBTL1ALDH1A1MAPK1MMP2
Trifluoroacetic Acid SCHEMBL22830205 0.83 ALDH1A1 (0.54) L3MBTL1ALDH1A1MAPK1LMNAKMT2A
Hydrochloric Acid SCHEMBL17335911 0.82 ALDH1A1 (0.50) HRH4L3MBTL1ALDH1A1MAPK1MMP2
Trifluoroacetic Acid SCHEMBL9335597 0.82 SPHK2 (0.51) HRH4LMNASMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL22830136 0.82 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPK1LMNAMEN1
Trifluoroacetic Acid SCHEMBL7760501 0.82 SMN1; SMN2 (0.52) L3MBTL1MMP2HTTLTA4HLMNA
SCHEMBL28090584 0.82 EPHX2 (0.58) L3MBTL1ALDH1A1MAPK1HTTMEN1
Hydrochloric Acid SCHEMBL31258271 0.81 ALDH1A1 (0.49) HRH4L3MBTL1ALDH1A1MAPK1MMP2

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-0384362-B1 Glycinderivatives HOFFMANN LA ROCHE (CH) 1999-12-15 EP disclosed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 US disclosed