SCHEMBL14964644

SCHEMBL14964644

CCC(S)C(=O)OCCOCCOCCOC(=O)C(S)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 1/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 2/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL3095134 1.00 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ETP53HIF1A
SCHEMBL31132432 1.00 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ETP53HIF1A
SCHEMBL3081531 0.93 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10THRBCA1
SCHEMBL26270395 0.92 TSHR (0.36) ALDH1A1TSHRKDM4ETP53HIF1A
Ethylene SCHEMBL14964625 0.88 TSHR (0.33) ALDH1A1TSHRTHRBCA1CA2
SCHEMBL23581584 0.84 NAAA (0.40) ALDH1A1TSHRCA1CA2
SCHEMBL2135989 0.84 HCAR2 (0.39) ALDH1A1TSHRCA1CA2HDAC3
SCHEMBL2134905 0.80 ALDH1A1 (0.52) ALDH1A1TSHRCA1CA2
SCHEMBL1141776 0.78
SCHEMBL7980194 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138862-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS, OPTICAL MATERIAL PRODUCED FROM SAME, AND METHOD FOR PRODUCING SAME MITSUI CHEMICALS INC (JP) 2022-08-03 EP disclosed
US-10196501-B2 Polymerizable composition for optical material, optical material produced from same, and process for producing same MITSUI CHEMICALS, INC. (JP) 2019-02-05 US disclosed
EP-2780387-B1 POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE MITSUI CHEMICALS INC (JP) 2018-11-07 EP disclosed
EP-2921511-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL AND MANUFACTURING METHOD FOR SAME MITSUI CHEMICALS INC (JP) 2017-11-01 EP disclosed
US-9778397-B2 Polymerizable composition, optical material, and manufacturing method of the same MITSUI CHEMICALS, INC. (JP) 2017-10-03 US disclosed
EP-3138862-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS, OPTICAL MATERIAL PRODUCED FROM SAME, AND METHOD FOR PRODUCING SAME Mitsui Chemicals, Inc. (JP) 2017-03-08 EP disclosed
US-20170051131-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL PRODUCED FROM SAME, AND PROCESS FOR PRODUCING SAME MITSUI CHEMICALS, INC. (JP) 2017-02-23 US disclosed
US-9527948-B2 Polymerizable composition, optical article obtained therefrom and method for the production of said optical article MITSUI CHEMICALS, INC. (JP) 2016-12-27 US disclosed
US-20150331147-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL, AND MANUFACTURING METHOD OF THE SAME MITSUI CHEMICALS, INC. (JP) 2015-11-19 US disclosed
EP-2921511-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL AND MANUFACTURING METHOD FOR SAME Mitsui Chemicals, Inc. (JP) 2015-09-23 EP disclosed
US-20140327869-A1 POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE MITSUI CHEMICALS, INC. 2014-11-06 US disclosed
EP-2780387-A1 POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE Mitsui Chemicals, Inc. (JP) 2014-09-24 EP disclosed
WO-2013073194-A1 POLYMERIZABLE COMPOSITION, OPTICAL ARTICLE OBTAINED THEREFROM AND METHOD FOR THE PRODUCTION OF SAID OPTICAL ARTICLE MITSUI CHEMICALS, INC. (JP) 2013-05-23 WO disclosed