SCHEMBL1893078

SCHEMBL1893078

C=C(C)C(=O)OC(COc1cccc(OCC(COc2c(Br)cc(Br)cc2Br)OC(=O)C(=C)C)c1)COc1c(Br)cc(Br)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
POLB P06746 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL11957216 0.83 MTNR1A (0.46) MTNR1AMTNR1BPOLB
SCHEMBL19944452 0.82 MTNR1A (0.56) MTNR1AMTNR1BPOLB
SCHEMBL11524298 0.82 MTNR1A (0.43) MTNR1AMTNR1BPOLB
SCHEMBL372528 0.82 THRB (0.35) MTNR1AMTNR1BTHRATHRB
SCHEMBL10614167 0.81 TSHR (0.35) MTNR1AMTNR1BMAOAMAOB
SCHEMBL4184755 0.79 RXRA (0.48) MTNR1AMTNR1B
SCHEMBL4190458 0.79 PTPN7 (0.44) MTNR1AMTNR1BPOLB
SCHEMBL1893080 0.78 KDM4E (0.36) MTNR1AMTNR1BPOLBMAOAMAOB
SCHEMBL4184734 0.78 MAPT (0.45) MTNR1AMTNR1B
SCHEMBL19944372 0.78 MTNR1A (0.50) MTNR1AMTNR1BPOLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63248814-A None JP disclosed
US-8507632-B2 A polyesterurethane copolymer containing a polycaprolactone-modified alkyl(meth)acrylate; self-repairing coatings or paints; optical films NATOCO CO., LTD. (JP) 2013-08-13 US disclosed
US-7939608-B2 A polyesterurethane copolymer containing a polycaprolactone-modified alkyl(meth)acrylate; self-repairing coatings or paints; optical films NATOCO CO., LTD. (JP) 2011-05-10 US disclosed
US-20080125550-A1 COMPOSITION CURABLE WITH ACTINIC ENERGY RAY AND USE THEREOF NATOCO CO., LTD. (JP) 2008-05-29 US disclosed
EP-1057808-B1 Sulfur-containing unsaturated carboxylate compound and its use MITSUI CHEMICALS INC (JP) 2007-03-14 EP disclosed
US-20070049654-A1 Composition Curable With Actinic Energy Ray and Use Thereof NATOCO CO., LTD. (JP) 2007-03-01 US disclosed
US-20070049653-A1 Composition Curable With Actinic Energy Ray and Use Thereof NATOCO CO., LTD. (JP) 2007-03-01 US disclosed
US-20070004817-A1 Composition Curable With Actinic Energy Ray and Use Thereof NATOCO CO., LTD. (JP) 2007-01-04 US disclosed
US-20050148739-A1 Composition curable with actinic energy ray and use thereof NATOCO CO., LTD. (JP) 2005-07-07 US disclosed
US-6458908-B1 A PROCESS FOR PREPARING A SULFUR-CONTAINING UNSATURATED CARBOXYLATE COMPOUND AS CLAIMED IN CLAIM 1 COMPRISING REACTING A SULFUR-CONTAINING DERIVATIVE FOR OPTICAL POLYMERS MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-1057808-A2 Sulfur-containing unsaturated carboxylate compound and its use Mitsui Chemicals, Inc. (JP) 2000-12-06 EP disclosed
JP-S63248814-A CLEAR RESIN COMPOSITION OF HIGH REFRACTIVE INDEX MITSUBISHI GAS CHEM CO INC 1988-10-17 JP disclosed