SCHEMBL2389997

SCHEMBL2389997

O=C(OCCOC(=O)C(Br)Br)C(Br)Br

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
TSHR P16473 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL6511899 0.85
SCHEMBL21811907 0.83 MEN1 (0.50) ALDH1A1THRBTSHRTP53HIF1A
SCHEMBL6435839 0.80 ALDH1A1 (0.39) ALDH1A1THRBRECQLTSHRCYP2C19
SCHEMBL23870927 0.79 HSD17B10 (0.47) ALDH1A1THRBTSHRTP53HIF1A
SCHEMBL28610927 0.79 ALDH1A1 (0.56) ALDH1A1TSHRCYP2C19
SCHEMBL8116732 0.77 CA2 (0.35) ALDH1A1RECQLTSHRTP53HIF1A
SCHEMBL297369 0.75
SCHEMBL435016 0.75 TSHR (0.33) ALDH1A1TSHRCYP2C19
SCHEMBL25142022 0.73 KDM4E (0.41) ALDH1A1THRBTSHRTP53HIF1A
SCHEMBL967289 0.72 ALDH1A1 (0.44) ALDH1A1THRBRECQLCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695277-B2 Polymers with hydroxyl acid blocks MOLECON, INC. (US) 2017-07-04 US disclosed
US-20160280850-A1 NOVEL POLYMERS WITH HYDROXYL ACID BLOCKS MOLECON, INC. (US) 2016-09-29 US disclosed
CN-102924700-B Polymer with hydroxy acid block 莫立克股份有限公司 2016-09-28 CN disclosed
US-9340645-B2 Polymers with hydroxyl acid blocks MOLECON, INC. (US) 2016-05-17 US disclosed
US-20140221579-A1 NOVEL POLYMERS WITH HYDROXYL ACID BLOCKS MOLECON (SUZHOU) NOVEL MATERIALS CO., LTD. 2014-08-07 US disclosed
CN-102149745-B Polymers with hydroxy acid blocks MOLECON INC 2014-05-28 CN disclosed
US-8722847-B2 Polymers with hydroxyl acid blocks MOLECON, INC. (US) 2014-05-13 US disclosed
CN-102924700-A Novel polymers with hydroxyl acid blocks MOLECON INC 2013-02-13 CN disclosed
US-20110213100-A1 NOVEL POLYMERS WITH HYDROXYL ACID BLOCKS MOLECON, INC. 2011-09-01 US disclosed
CN-102149745-A Novel polymers with hydroxy acid blocks MOLECON INC 2011-08-10 CN disclosed
WO-2010030599-A2 NOVEL POLYMERS WITH HYDROXYL ACID BLOCKS MOLECON, INC. (US) 2010-03-18 WO disclosed