Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7447498

COC(OC1CNCCC1c1ccc(OCc2cc(-c3ccccc3)no2)cc1)c1ccc2ccccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.46
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 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
SCHEMBL7549651 0.87 REN (0.49) RENNPC1RAB9ASMN1; SMN2TDP1
Trifluoroacetic Acid SCHEMBL6042256 0.85 REN (0.65) REN
Trifluoroacetic Acid SCHEMBL6041507 0.81 REN (0.50) RENNPC1RAB9ASMN1; SMN2TDP1
Trifluoroacetic Acid SCHEMBL7546920 0.81 REN (0.51) REN
SCHEMBL7436586 0.74 REN (0.46) REN
Trifluoroacetic Acid SCHEMBL6041478 0.72 REN (0.87) REN
SCHEMBL7547860 0.72 REN (0.50) REN
SCHEMBL6043173 0.71 REN (0.64) RENNPC1RAB9ASMN1; SMN2TDP1
SCHEMBL7443592 0.69 REN (0.43) REN
Trifluoroacetic Acid SCHEMBL6042894 0.69 REN (0.87) REN

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-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed