SCHEMBL3756950

SCHEMBL3756950

CC(C)(C)OCC(C)(C)C(=O)OOC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL14196625 0.77 TSHR (0.36) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11930048 0.77 DGAT1 (0.43) TSHR
SCHEMBL3756949 0.77 DGAT1 (0.43) TDP1
SCHEMBL9064350 0.77 MAPK1 (0.31) ALDH1A1
SCHEMBL28724398 0.76 TSHR (0.31) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11421638 0.74 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL6859457 0.72 CYP2C9 (0.39) ALDH1A1TSHR
SCHEMBL25543685 0.72 GAA (0.36)
SCHEMBL9936166 0.71 DGAT1 (0.35) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL15165 0.71 TSHR (0.41) ALDH1A1TSHRHSD17B10TDP1

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