SCHEMBL3756949

SCHEMBL3756949

CC(C)(C)OCC(C)(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 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
SCHEMBL8776373 0.83 DGAT1 (0.44) DGAT1TDP1
SCHEMBL27521878 0.81 DGAT1 (0.43) DGAT1TDP1
SCHEMBL9064350 0.81 MAPK1 (0.31) MAPK1
SCHEMBL13635960 0.81 DGAT1 (0.43) DGAT1MAPK1TDP1CTSK
SCHEMBL11930048 0.81 DGAT1 (0.43) DGAT1MAPK1
SCHEMBL24242159 0.81 DGAT1 (0.48) DGAT1TDP1
SCHEMBL29012648 0.79 DGAT1 (0.41) DGAT1
SCHEMBL30023683 0.77 DGAT1 (0.40) DGAT1
SCHEMBL3756950 0.77 ALDH1A1 (0.34) TDP1
SCHEMBL8776379 0.76 DGAT1 (0.39) DGAT1

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-7847020-B2 Polyisobutene polyol and moulding compound BASF AKTIENGESELLSCHAFT (DE) 2010-12-07 US disclosed
US-20080227916-A1 an acyclic olefin polymer having terminal 1,3-propanediol groups, capable of crosslinking with isocyanates or epoxy compounds, to form addition-condensation copolymers having storage stability even at elevated temperatures BASF SE (DE) 2008-09-18 US disclosed
US-20060270800-A1 Molding compound BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 US disclosed
EP-0382320-B1 Process for preparation of stable interpenetrating polymer blends, comprising a poly(vinyl aromatic) polymer phase and a poly(alkylene) phase SHELL INT RESEARCH (NL) 1994-09-07 EP disclosed
US-5084513-A PROCESS FOR PREPARATION OF STABLE INTERPENETRATING POLYMER BLENDS, COMPRISING A POLY(VINYL AROMATIC) POLYMER PHASE AND A POLY(ALKYLENE) PHASE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1992-01-28 US disclosed
EP-0382320-A2 Process for preparation of stable interpenetrating polymer blends, comprising a poly(vinyl aromatic) polymer phase and a poly(alkylene) phase SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-08-16 EP disclosed