Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4666697

COC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
THRB P10828 1/20 0.62
MTOR P42345 1/20 0.62
MDM2 Q00987 1/20 0.62
NCOA1 Q15788 1/20 0.62
NCOA3 Q9Y6Q9 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.54
GLA P06280 1/20 0.54
P2RY2 P41231 1/20 0.52
ST6GAL1 P15907 7/20 0.52

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
SCHEMBL13524621 0.92 LMNA (0.73) LMNATHRBMTORMDM2NCOA1
SCHEMBL15338532 0.92 LMNA (0.73) LMNATHRBMTORMDM2NCOA1
SCHEMBL14178411 0.92 LMNA (0.73) LMNATHRBMTORMDM2NCOA1
SCHEMBL2811458 0.92 LMNA (0.73) LMNATHRBMTORMDM2NCOA1
SCHEMBL18231346 0.92 LMNA (0.73) LMNATHRBMTORMDM2NCOA1
SCHEMBL158513 0.92 LMNA (0.73) LMNATHRBMTORMDM2NCOA1
SCHEMBL383499 0.92 LMNA (0.73) LMNATHRBMTORMDM2NCOA1
SCHEMBL17304691 0.92 LMNA (0.73) LMNATHRBMTORMDM2NCOA1
SCHEMBL27735995 0.85 LMNA (0.65) LMNATHRBMTORMDM2NCOA1
SCHEMBL24829650 0.84 LMNA (0.59) LMNATHRBMTORMDM2NCOA1

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-1915053-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES Merck & Co., Inc. (US) 2008-04-30 EP disclosed
WO-2007022073-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2007-02-22 WO disclosed