SCHEMBL6859095

SCHEMBL6859095

N#CC(C#N)COCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.35
APP P05067 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
SCHEMBL21045048 0.95 TSHR (0.45) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL8137544 0.79 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL17728813 0.76 MEN1 (0.92) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL9579986 0.76 MEN1 (0.92) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL8939357 0.76 MEN1 (0.92) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL7110780 0.76 MEN1 (0.92) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL9132284 0.76 MEN1 (0.92) MEN1KMT2ATSHRMAPK1THRB
Pentaethylene Glycol SCHEMBL31282309 0.76 MEN1 (0.92) MEN1KMT2ATSHRMAPK1THRB
Hexaethylene Glycol SCHEMBL6555741 0.76 MEN1 (0.92) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL31493180 0.76 MEN1 (0.92) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105018001-B Water adhesive for lithium ion battery and positive/negative plate and coating barrier film 成都中科来方能源科技有限公司 2016-08-31 CN disclosed
CN-105018001-A Aqueous binder used for lithium ion batteries, positive and negative electrode plates and coating membrane CHENGDU ZHONGKE LAIFANG ENERGY TECHNOLOGY CO LTD 2015-11-04 CN disclosed
US-6794530-B1 1,4-ADDITION OF MONOHYDRIC OR POLYHYDRIC ALCOHOLS TO ALPHA , BETA -UNSATURATED NITRILES BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed