Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5748541

CCN(C(=O)OC(C)(C)C)C(C)C(=O)c1ccccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
LMNA P02545 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 3/20 0.34
ALPL P05186 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
APP P05067 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
HTT P42858 1/20 0.33
MITF O75030 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3202566 0.78 GSK3B (0.49) GSK3BLMNANAPRTP4HTML3MBTL1
Trifluoroacetic Acid SCHEMBL27586292 0.74 L3MBTL1 (0.47) LMNANAPRTP4HTML3MBTL1SMN1; SMN2
SCHEMBL5746725 0.72 GSK3B (0.46) GSK3BLMNANAPRTP4HTML3MBTL1
SCHEMBL32662174 0.70 CYP1A2 (0.46) SMN1; SMN2ALDH1A1KDM4ETDP1MAPT
SCHEMBL6312924 0.70 ATM (0.43) LMNAL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL24443482 0.69 NPC1 (0.42) LMNANAPRTP4HTML3MBTL1SMN1; SMN2
SCHEMBL29689910 0.69 NPC1 (0.42) LMNANAPRTP4HTML3MBTL1SMN1; SMN2
SCHEMBL10957821 0.69 ATM (0.42) LMNAL3MBTL1ALDH1A1
SCHEMBL10957808 0.69 ATM (0.42) LMNAL3MBTL1ALDH1A1
SCHEMBL23099848 0.69 ATM (0.42) LMNAL3MBTL1ALDH1A1

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-1636218-A1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GmbH (DE) 2006-03-22 EP disclosed
WO-2005003128-A1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2005-01-13 WO disclosed