SCHEMBL5010662

SCHEMBL5010662

CCCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.38
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
DNM1 Q05193 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2C P28335 1/20 0.32
MAPT P10636 2/20 0.32
BLM P54132 1/20 0.32
NAAA Q02083 1/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8752134 0.89 DGKA (0.54) DGKAALDH1A1KMT2AMEN1DNM1
SCHEMBL28846310 0.89 DGKA (0.49) DGKAALDH1A1KMT2AMEN1DNM1
SCHEMBL8752085 0.88 DGKA (0.57) DGKAALDH1A1KMT2AMEN1DNM1
SCHEMBL22331133 0.88 DGKA (0.57) DGKAALDH1A1KMT2AMEN1DNM1
SCHEMBL8752108 0.88 DGKA (0.57) DGKAALDH1A1KMT2AMEN1DNM1
SCHEMBL8752032 0.88 DGKA (0.57) DGKAALDH1A1KMT2AMEN1DNM1
SCHEMBL8752071 0.88 DGKA (0.57) DGKAALDH1A1KMT2AMEN1DNM1
SCHEMBL8752067 0.88 DGKA (0.57) DGKAALDH1A1KMT2AMEN1DNM1
SCHEMBL4613311 0.88 MEN1 (0.39) DGKAKMT2AMEN1ADRA2AADRA1A
SCHEMBL13044432 0.87 DGKA (0.38) DGKAALDH1A1KMT2AMEN1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194887-A1 SEPARATION OF FLUOROUS COMPOUNDS PITTSBURGH UNIVERSITY OF - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-08-14 US disclosed
US-7364908-B2 Separation of fluorous compounds UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-04-29 US disclosed
US-20050283032-A1 charging a mixture of compounds to a non-fluorous solid phase (silica gel, alumina, zirconia) and eluting with a fluorous eluting fluid (hydrofluoroalkane, a hydrofluoroether, a hydrofluoroamine, a perfluoroalkane, a perfluoroether, or a perfluoroamine) and a cosolvent: difference in fluorous nature NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-12-22 US disclosed