SCHEMBL3894413

SCHEMBL3894413

CC(C)OOB(OOC(C)C)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.36
LMNA P02545 2/20 0.35
LTA4H P09960 2/20 0.33
TSHR P16473 1/20 0.33
MAOA P21397 1/20 0.32
PTGS1 P23219 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAAR1 Q96RJ0 2/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL8582586 0.89 ALDH1A3 (0.30)
SCHEMBL437063 0.80 MAOA (0.34) CA4LMNALTA4HTSHRMAOA
SCHEMBL20678528 0.80 LMNA (0.37) CA4LMNALTA4HTSHRMAOA
SCHEMBL51246 0.74 LTA4H (0.50) CA4LMNALTA4HTSHRMAOA
SCHEMBL10777066 0.71 LTA4H (0.47) CA4LMNALTA4HTSHRMAOA
Methane SCHEMBL29002032 0.71 LTA4H (0.47) CA4LMNALTA4HTSHRMAOA
SCHEMBL16534280 0.71 LTA4H (0.47) CA4LMNALTA4HTSHRMAOA
Hydrogen Sulfide SCHEMBL16338972 0.71 LTA4H (0.47) CA4LMNALTA4HTSHRMAOA
SCHEMBL29965221 0.71 LTA4H (0.47) CA4LMNALTA4HTSHRMAOA
Ammonia Solution, Strong SCHEMBL28193113 0.71 LTA4H (0.47) CA4LMNALTA4HTSHRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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