SCHEMBL6738698

SCHEMBL6738698

O=P(O)(OCCCl)OCCCl.[Cu]

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
BTN3A1 O00481 1/20 0.34
TSHR P16473 1/20 0.33
AKR1C3 P42330 1/20 0.31
MVD P53602 1/20 0.31
TYMS P04818 1/20 0.30
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 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
SCHEMBL28435086 0.97 ALDH1A1 (0.60) ALDH1A1BTN3A1TSHRAKR1C3MVD
SCHEMBL4906432 0.97 ALDH1A1 (0.60) ALDH1A1BTN3A1TSHRAKR1C3MVD
Bromide SCHEMBL10486803 0.94 ALDH1A1 (0.57) ALDH1A1BTN3A1TSHRAKR1C3MVD
Ethyl Chloride SCHEMBL11788111 0.90 ALDH1A1 (0.52) ALDH1A1BTN3A1TSHRMVDLPAR3
SCHEMBL28788093 0.87 ALDH1A1 (0.50) ALDH1A1BTN3A1TSHRTYMSLPAR3
SCHEMBL9064989 0.87 ALDH1A1 (0.50) ALDH1A1BTN3A1TSHR
SCHEMBL9064261 0.85 ALDH1A1 (0.48) ALDH1A1BTN3A1
SCHEMBL27690368 0.85 ALDH1A1 (0.48) ALDH1A1BTN3A1TSHRLPAR3LPAR1
Di(Hydroxyethyl)Ether SCHEMBL6401383 0.84 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL28781000 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680399-B2 BALL MILLING CATALYST SUCH AS COPPER SALTS OF DIETHYL PHOSPHATE WITH SILICON, THEN REACTING WITH ALCOHOLS TO FORM TRIETHOXYSILANE AND/OR TETRAETHYL SILICATE AK RESEARCH COMPANY 2004-01-20 US disclosed
US-20030229241-A1 PROCESS FOR THE MANUFACTURE OF ALKOXYSILANES AND ALKOXY ORTHOSILICATES ANDERSON AMOS R (US) 2003-12-11 US disclosed
US-6580000-B1 Reacting silicon with an alcohol in presence of cupric bis-(diorganophosphate) catalyst producing such as triethoxysilane and tetraethyl orthosilicate AK RESEARCH COMPANY 2003-06-17 US disclosed