SCHEMBL8057482

SCHEMBL8057482

S=P(OCl)(OC1CCCCC1)OC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
GLA P06280 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL5852300 0.98 ACHE (0.34) ACHECA12CA1CA2CA9
SCHEMBL17285155 0.85 ACHE (0.43) ACHECA12CA1CA2CA9
SCHEMBL29351118 0.76 ACHE (0.42) ACHECA12CA1CA2CA9
SCHEMBL8057479 0.75 ACHE (0.40) ACHECA12CA1CA2CA9
SCHEMBL8146764 0.75 ACHE (0.40) ACHECA12CA1CA2CA9
SCHEMBL8139364 0.75 ACHE (0.40) ACHECA12CA1CA2CA9
SCHEMBL8148926 0.72 ACHE (0.37) ACHECA12CA1CA2CA9
SCHEMBL5852298 0.72 ACHE (0.37) ACHECA12CA1CA2CA9
SCHEMBL9330611 0.71 ACHE (0.47) ACHECA1CA2MEN1LMNA
SCHEMBL9875321 0.71 ACHE (0.38) ACHEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6018067-A UPGRADING A CRUDE DIHYDROCARBYLTHIOPHOSPHATE PRODUCT CONTAMINATED WITH A DIHYDROCARBYLPOLYSULFIDE AND/OR A DIHYDROCARBYLCHLOROPHOSPHATE, BY TREATING WITH HYPOCHLORITE SOLUTION AND SEPARATING AN AQUEOUS PHASE FROM THE PRODUCT ALBEMARLE CORPORATION (US) 2000-01-25 US disclosed
US-5955626-A Process of purifying dihydrocarbylchlorothiophosphates ALBEMARLE CORPORATION (US) 1999-09-21 US disclosed