SCHEMBL10878751

SCHEMBL10878751

CC(CC(=O)[O-])OC=O.CC(CC(=O)[O-])OC=O.[Mg+2]

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
CA4 P22748 2/20 0.34
SLC22A16 Q86VW1 1/20 0.34
CA1 P00915 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP1A2 P05177 1/20 0.32
HRH1 P35367 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1A P50416 1/20 0.32
CTSL P07711 1/20 0.32
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL10554238 0.96 CA2 (0.44) CA2CA4SLC22A16CA1MEN1
SCHEMBL11160758 0.96 CA2 (0.44) CA2CA4SLC22A16CA1MEN1
SCHEMBL13555632 0.77
SCHEMBL3773162 0.77
SCHEMBL10878756 0.76 SLC22A6 (0.35)
SCHEMBL11160781 0.76 SLC22A6 (0.35)
SCHEMBL10554240 0.76 SLC22A6 (0.35)
SCHEMBL9641271 0.75 CA2 (0.50) CA2CA4SLC22A16CA1MEN1
SCHEMBL11914187 0.72 MAPT (0.33)
SCHEMBL6722480 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077202-B1 PROCESS FOR HYDROXYLATING OLEFINS USING OSMIUM-HALOGEN COMPOUND CATALYSTS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-04-09 EP disclosed
EP-0077201-B1 HYDROXYLATION OF OLEFINS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-01-15 EP disclosed
US-4533773-A Process for hydroxylating olefins in the presence of an osmium oxide catalyst and carboxylate salt co-catalyst EXXON RESEARCH & ENGINEERING CO. (US) 1985-08-06 US disclosed
US-4486613-A CATALYTIC OXIDATION EXXON RESEARCH & ENGINEERING CO. (US) 1984-12-04 US disclosed
EP-0104873-A2 A process for hydroxylating olefins using an osmium carbonyl catalyst EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-04-04 EP disclosed
EP-0102154-A1 Process for hydroxylating olefins using a supported osmium catalyst EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-03-07 EP disclosed
EP-0098701-A1 Process for hydroxylating olefins in the presence of an osmium oxide catalyst and carboxylate salt co-catalyst EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-01-18 EP disclosed
US-4413151-A WITH WATER AND OXIDIZER EXXON RESEARCH & ENGINEERING CO. (US) 1983-11-01 US disclosed
US-4390739-A Hydroxylation of olefins EXXON RESEARCH & ENGINEERING CO. (US) 1983-06-28 US disclosed
EP-0077202-A2 Process for hydroxylating olefins using osmium-halogen compound catalysts EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-04-20 EP disclosed
EP-0077201-A2 Hydroxylation of olefins EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-04-20 EP disclosed