SCHEMBL6780033

SCHEMBL6780033

CC(C)COP(=S)(OCC(C)C)OCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 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
SCHEMBL9166536 0.86
SCHEMBL8060008 0.84
SCHEMBL11379607 0.82 ACHE (0.33)
SCHEMBL11373833 0.82 ACHE (0.33)
SCHEMBL8524669 0.80 LPAR2 (0.31)
SCHEMBL28462017 0.80 LPAR2 (0.30)
SCHEMBL16350171 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL10430840 0.78
SCHEMBL12038312 0.77 CYP3A4 (0.34) ALDH1A1
SCHEMBL1691784 0.77 ALDH1A1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756346-B1 LOW ASH; ENVIRONMENTAL PROTECTION; PHOSPHOROTHIONATE, AMINE SALT OF PHOSPHORUS COMPOUND AND DITHIOPHOSPHATE ANTIWEAR AGENT; POLYALKYLENE POLYAMINE AND CARBOXYLIC ACID RUST PREVENTING AGENT SHELL OIL COMPANY 2004-06-29 US disclosed
EP-1109882-B1 LUBRICATING OIL COMPOSITION USEFUL IN HYDRAULIC FLUIDS SHELL INT RESEARCH (NL) 2002-07-17 EP disclosed
EP-1109882-A1 LUBRICATING OIL COMPOSITION USEFUL IN HYDRAULIC FLUIDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2001-06-27 EP disclosed
WO-2000011122-A1 LUBRICATING OIL COMPOSITION USEFUL IN HYDRAULIC FLUIDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2000-03-02 WO disclosed