SCHEMBL2098620

SCHEMBL2098620

[CH2]C(C)CC(C)(C)CCC(CC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 4/20 0.38
TSHR P16473 3/20 0.38
CA2 P00918 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 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
SCHEMBL359408 0.85 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1037201 0.78
SCHEMBL17607653 0.77 CES2 (0.32) TSHR
SCHEMBL28241103 0.77 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL25408915 0.75 CES2 (0.35) TSHR
SCHEMBL28528678 0.75 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL29064488 0.74 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL3971932 0.74 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL1007621 0.74
SCHEMBL17607439 0.72 MEN1 (0.31) CYP3A4

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-8841441-B2 Method for producing regenerated biopolymers and regenerated products obtained by said method BASF SE (DE) 2014-09-23 US disclosed
US-8163215-B2 Contains 1-ethyl-3-methylimidazolium acetate; precipitation; spun fibers BASF AKTIENGESELLSCHAFT (DE) 2012-04-24 US disclosed
US-20100256352-A1 METHOD FOR PRODUCING REGENERATED BIOPOLYMERS AND REGENERATED PRODUCTS OBTAINED BY SAID METHOD BASF SE (DE) 2010-10-07 US disclosed
US-20080269477-A1 Solvent System Based on Molten Ionic Liquids, Its Production and Use for Producing Regenerated Carbohydrates BASF SE (DE) 2008-10-30 US disclosed