SCHEMBL3901460

SCHEMBL3901460

COB(Cc1ccccc1)OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
LTA4H P09960 1/20 0.41
TSHR P16473 4/20 0.40
CALM1 P0DP23 1/20 0.39
IDO1 P14902 3/20 0.37
ALDH1A1 P00352 3/20 0.37
EPHX2 P34913 1/20 0.37
LAP3 P28838 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TRPA1 O75762 1/20 0.36
CA4 P22748 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
AGXT P21549 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL16361999 0.78 TP53 (0.40) TP53LTA4HTSHRCALM1IDO1
SCHEMBL3900187 0.76 CA1 (0.41) TP53LTA4HTSHRCALM1IDO1
SCHEMBL5952618 0.75 TSHR (0.41) TP53LTA4HTSHRCALM1TRPA1
SCHEMBL23952905 0.73 LTA4H (0.36) TP53LTA4HTSHRCALM1IDO1
SCHEMBL1581042 0.73 TP53 (0.36) TP53TSHRCALM1IDO1ALDH1A1
SCHEMBL12400987 0.70 TP53 (0.48) TP53TSHRCALM1IDO1ALDH1A1
SCHEMBL17508991 0.70 EPHX2 (0.38) TP53TSHRCALM1IDO1ALDH1A1
SCHEMBL555907 0.69 CALM1 (0.50) TP53TSHRCALM1IDO1ALDH1A1
Pyridine SCHEMBL29132370 0.69 CYP11B1 (0.36) LTA4HTSHRALDH1A1TDP1CYP3A4
SCHEMBL23535576 0.69 LIPE (0.39) TP53LTA4HTSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321628-B Preparation method of beta-dimethylphenyl silicon substituted organic nitrile compound 湖北工程学院 2023-04-28 CN claimed
CN-116731061-A Method for efficiently preparing 1-silicon-based-2-alkyl compound 武汉大学 2023-09-12 CN disclosed
CN-112778351-B Preparation method of beta-dimethylphenyl silicon substituted aromatic nitro compound 湖北工程学院 2023-04-28 CN disclosed
CN-112321628-B Preparation method of beta-dimethylphenyl silicon substituted organic nitrile compound 湖北工程学院 2023-04-28 CN disclosed
CN-111995635-B Method for preparing organosilicon compound by catalyzing chitosan loaded copper film material 湖北工程学院 2023-04-25 CN 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
WO-2006076020-A2 FUEL COMPOSITIONS AND METHODS THEREOF FERNANDES JOSEPH B (US) 2006-07-20 WO disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP disclosed
US-20050229479-A1 Fuel compositions and methods thereof ETANE USA, L.L.C. 2005-10-20 US 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-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO 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