SCHEMBL4301987

SCHEMBL4301987

CC(C)c1ncc[nH]1.COB(OC)OC.COB(OC)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
FPR2 P25090 4/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2RL1 P55085 2/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
SMPD3 Q9NY59 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
TXN P10599 1/20 0.32
TXNRD1 Q16881 1/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31

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
SCHEMBL189942 0.85
Hydrochloric Acid SCHEMBL10681958 0.83 ADRA2A (0.47) ADRA2AADRA2BADRA2CFPR2ALDH1A1
Hydrochloric Acid SCHEMBL27564991 0.83
Bromide SCHEMBL5133738 0.83
Hydrochloric Acid SCHEMBL4259010 0.83 ADRA2A (0.47) ADRA2AADRA2BADRA2CFPR2ALDH1A1
SCHEMBL4304273 0.82 F2RL1 (0.41) ADRA2AADRA2BADRA2CFPR2ALDH1A1
SCHEMBL29212737 0.78 F2RL1 (0.41) ADRA2AADRA2BADRA2CFPR2ALDH1A1
Pyrrole SCHEMBL28392514 0.76 ADRA2A (0.42) ADRA2AADRA2BADRA2CFPR2ALDH1A1
Acetic Acid SCHEMBL27677340 0.74 ADRA2A (0.50) ADRA2AADRA2BADRA2CFPR2ALDH1A1
SCHEMBL2512229 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134828-A1 NON-AQUEOUS ELECTROLYTES FOR LITHIUM ELECTROCHEMICAL CELLS MYSTICMD, INC. (US) 2009-11-05 WO claimed
US-20090269676-A1 NON-AQUEOUS ELECTROLYTES FOR LITHIUM ELECTROCHEMICAL CELLS MYSTICMD, INC. 2009-10-29 US claimed
EP-1442489-B1 NON-AQUEOUS ELECTROLYTES FOR LITHIUM ELECTROCHEMICAL CELLS YARDNEY TECH PROD (US) 2009-09-16 EP claimed
WO-2009134828-A1 NON-AQUEOUS ELECTROLYTES FOR LITHIUM ELECTROCHEMICAL CELLS MYSTICMD, INC. (US) 2009-11-05 WO disclosed
US-20090269676-A1 NON-AQUEOUS ELECTROLYTES FOR LITHIUM ELECTROCHEMICAL CELLS MYSTICMD, INC. 2009-10-29 US disclosed
EP-1442489-B1 NON-AQUEOUS ELECTROLYTES FOR LITHIUM ELECTROCHEMICAL CELLS YARDNEY TECH PROD (US) 2009-09-16 EP disclosed
US-6852446-B2 Non-aqueous electrolytes for lithium electrochemical cells YARDNEY TECHNICAL PRODUCTS, INC. (US) 2005-02-08 US disclosed
EP-1442489-A2 NON-AQUEOUS ELECTROLYTES FOR LITHIUM ELECTROCHEMICAL CELLS YARDNEY TECHNICAL PRODUCTS, INC. (US) 2004-08-04 EP disclosed
US-20030108800-A1 Non-aqueous electrolytes for lithium electrochemical cells DUKE FINANCE SUBSIDIARY HOLDINGS, LLC 2003-06-12 US disclosed
WO-2003043102-A2 NON-AQUEOUS ELECTROLYTES FOR LITHIUM ELECTROCHEMICAL CELLS YARDNEY TECHNICAL PRODUCTS, INC. (US) 2003-05-22 WO disclosed