SCHEMBL4642212

SCHEMBL4642212

CCCCC(C)[C](C)CC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
FDPS P14324 5/20 0.42
ALDH1A1 P00352 1/20 0.39
DNM1 Q05193 2/20 0.38
OPRM1 P35372 1/20 0.36
CA2 P00918 2/20 0.36
MAPK1 P28482 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
SPHK1 Q9NYA1 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL28154736 0.92 CA1 (0.54) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL28154758 0.90 CA1 (0.52) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL11797173 0.90 CA1 (0.52) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL28153784 0.90 CA1 (0.52) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL17292836 0.90 CA1 (0.52) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL17255716 0.90 CA1 (0.52) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL5488054 0.90 CA1 (0.52) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL17292835 0.90 CA1 (0.52) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL28153844 0.90 CA1 (0.52) CA1FDPSOPRM1ACE2SPHK1
SCHEMBL28154765 0.90 CA1 (0.52) CA1FDPSOPRM1ACE2SPHK1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106893581-B Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-11-05 CN disclosed
CN-106892915-B Organic compound, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-02-22 CN disclosed
CN-106892914-B Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2019-02-01 CN disclosed
CN-106588946-B 10-hydroxycamptothecine derivative, synthetic method and its application 郑州大学 2019-01-22 CN disclosed
CN-108101922-A Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2018-06-01 CN disclosed
US-9718909-B2 Polymer compound and organic light-emitting display device having thin-film encapsulation structure including the polymer compound SAMSUNG DISPLAY CO., LTD. (KR) 2017-08-01 US disclosed
CN-106892914-A Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2017-06-27 CN disclosed
CN-106893581-A Organic electroluminescent compounds, organic electroluminescence device and its application 南京高光半导体材料有限公司 2017-06-27 CN disclosed
CN-106892915-A Organic compound, organic electroluminescence device and its application 南京高光半导体材料有限公司 2017-06-27 CN disclosed
CN-106866498-A Organic compound, organic electroluminescence device and its application 南京高光半导体材料有限公司 2017-06-20 CN disclosed
EP-1581175-A2 SUNSCREENS Oxonica Limited (GB) 2005-10-05 EP disclosed
WO-2005072695-A1 METAL OXIDE PARTICLES USEFUL AS FREE RADICAL SCAVNEGERS IN SUNSCREEN AND COSMETIC COMPOSITIONS OXONICA, LTD (GB) 2005-08-11 WO disclosed
WO-2005072680-A2 SURFACE-DOPED PARTICLES OF TI02 OR ZNO AND THEIR USE OXONICA, LTD (GB) 2005-08-11 WO disclosed
WO-2005002538-A1 METAL OXIDE FORMULATIONS OXONICA LIMITED (GB) 2005-01-13 WO disclosed
WO-2004058209-A2 SUNSCREENS OXONICA LIMITED (GB) 2004-07-15 WO disclosed
EP-1089866-A4 PROCESS TO PREPARE A POLYMER NANOCOMPOSITE COMPOSITION SOLUTIA INC (US) 2002-09-25 EP disclosed
EP-1089866-A1 PROCESS TO PREPARE A POLYMER NANOCOMPOSITE COMPOSITION Solutia Inc. (US) 2001-04-11 EP disclosed
EP-1086144-A1 METHODS FOR THE PREPARATION OF POLYAMIDE NANOCOMPOSITE COMPOSITIONS BY IN SITU AND SOLID STATE POLYMERIZATIONS Solutia Inc. (US) 2001-03-28 EP disclosed
WO-2000009571-A1 METHODS FOR THE PREPARATION OF POLYAMIDE NANOCOMPOSITE COMPOSITIONS BY IN SITU AND SOLID STATE POLYMERIZATIONS SOLUTIA INC. (US) 2000-02-24 WO disclosed
WO-1999041060-A1 PROCESS TO PREPARE A POLYMER NANOCOMPOSITE COMPOSITION SOLUTIA, INC. (US) 1999-08-19 WO disclosed