SCHEMBL3887139

SCHEMBL3887139

CN(C)c1c[c]ccc1.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
TSHR P16473 5/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
CHRM5 P08912 1/20 0.32
CHKA P35790 1/20 0.32
RELA Q04206 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL60023 0.98
SCHEMBL3898185 0.95 ALDH1A1 (0.39) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL27606287 0.95
SCHEMBL28019239 0.95 ALDH1A1 (0.39) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL3894433 0.95 ALDH1A1 (0.39) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL7474011 0.79
SCHEMBL698362 0.77 LMNA (0.40) ALDH1A1MAPK1TDP1CHKANPSR1
SCHEMBL8667075 0.76
SCHEMBL16336224 0.76 MEN1 (0.31) MEN1HTTKMT2A
SCHEMBL4467275 0.76 ADRA2A (0.35) ALDH1A1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111801335-A Synthesis method of boronic acid ester compound, sodium salt of boronic acid ester compound and synthesis method thereof 株式会社神钢环境舒立净 2020-10-20 CN disclosed
WO-2019142854-A1 SYNTHESIS METHOD FOR BORONIC ACID ESTER COMPOUND, AND SODIUM SALT OF BORONIC ACID ESTER COMPOUND AND SYNTHESIS METHOD THEREFOR 株式会社神鋼環境ソリューション 2019-07-25 WO disclosed
US-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 US disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP disclosed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 US disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed