SCHEMBL3898153

SCHEMBL3898153

c1ccc(-c2ccccc2[Si](c2ccccc2-c2ccccc2)(c2ccccc2-c2ccccc2)c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 1/20 0.46
BCL2L1 Q07817 1/20 0.46
CYP2A6 P11509 1/20 0.46
BACE1 P56817 1/20 0.42
DPP4 P27487 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
BCAT2 O15382 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
METAP2 P50579 1/20 0.38
TNF P01375 1/20 0.38

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
SCHEMBL16115423 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL30332661 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL9319707 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL3889982 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL23532341 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL16115916 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL13295284 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL5085077 0.79 ALDH1A1 (0.42) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL5927658 0.79 CYP2A6 (0.48) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL7181657 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPK1HPGDBCL2L1

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 6 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
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