SCHEMBL801269

SCHEMBL801269

CCCCCCCCC1(CCCCCCCC)c2cc(Br)ccc2-c2cc3c(cc21)-c1ccc(Br)cc1C3(c1ccc(CCCOCC)cc1)c1ccc(CCCOCC)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17248029 1.00 NPC1 (0.32) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL13045609 0.94
SCHEMBL4455920 0.91 NPC1 (0.36) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL801249 0.89 CNR1 (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL13045720 0.88
SCHEMBL13046526 0.87 SMN1; SMN2 (0.33) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2132399 0.87 MEN1 (0.34) SMN1; SMN2
SCHEMBL13045352 0.87 SMN1; SMN2 (0.36) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL13045711 0.86
SCHEMBL4463559 0.84 ESR1 (0.41) NPC1GAANFKB1RAB9ANFKB2

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-9175132-B2 Polymers comprising structural units which contain alkylalkoxy groups, blends comprising these polymers, and opto-electronic devices comprising these polymers and blends MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
US-9175132-B2 Polymers comprising structural units which contain alkylalkoxy groups, blends comprising these polymers, and opto-electronic devices comprising these polymers and blends MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
US-9175132-B2 Polymers comprising structural units which contain alkylalkoxy groups, blends comprising these polymers, and opto-electronic devices comprising these polymers and blends MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
US-8398895-B2 Conjugated polymers and their use as organic semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
US-8398895-B2 Conjugated polymers and their use as organic semiconductors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-03-19 US disclosed
US-20120097938-A1 POLYMERS COMPRISING STRUCTURAL UNITS WHICH CONTAIN ALKYLALKOXY GROUPS, BLENDS COMPRISING THESE POLYMERS, AND OPTO-ELECTRONIC DEVICES COMPRISING THESE POLYMERS AND BLENDS MERCK PATENT GMBH (DE) 2012-04-26 US disclosed
US-20120097938-A1 POLYMERS COMPRISING STRUCTURAL UNITS WHICH CONTAIN ALKYLALKOXY GROUPS, BLENDS COMPRISING THESE POLYMERS, AND OPTO-ELECTRONIC DEVICES COMPRISING THESE POLYMERS AND BLENDS MERCK PATENT GMBH (DE) 2012-04-26 US disclosed
US-20120097938-A1 POLYMERS COMPRISING STRUCTURAL UNITS WHICH CONTAIN ALKYLALKOXY GROUPS, BLENDS COMPRISING THESE POLYMERS, AND OPTO-ELECTRONIC DEVICES COMPRISING THESE POLYMERS AND BLENDS MERCK PATENT GMBH (DE) 2012-04-26 US disclosed
US-20120068121-A1 CONJUGATED POLYMERS AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 US disclosed
US-20120068121-A1 CONJUGATED POLYMERS AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-22 US disclosed
WO-2010149261-A1 POLYMERS CONTAINING STRUCTURAL UNITS THAT COMPRISE ALKYL ALKOXY GROUPS, BLENDS CONTAINING SAID POLYMERS, AND OPTOELECTRONIC DEVICES CONTAINING SAID POLYMERS AND BLENDS MERCK PATENT GMBH (DE) 2010-12-29 WO disclosed