SCHEMBL3484129

SCHEMBL3484129

Cc1cc(CCO)c2c(c1C)[S+]([O-])c1ccccc1C2

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2309520 0.81
SCHEMBL2308580 0.75 TDP1 (0.33)
SCHEMBL2312925 0.75 TDP1 (0.33)
SCHEMBL2310833 0.74 FFAR1 (0.30)
SCHEMBL2312884 0.74 PNMT (0.34)
SCHEMBL8086602 0.74
SCHEMBL8086621 0.72
SCHEMBL10504174 0.72
SCHEMBL2311185 0.72
SCHEMBL2310493 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2060589-B1 Polymeric Photoinitiators HENKEL AG & CO KGAA (DE) 2014-11-12 EP disclosed
EP-2050766-B1 Polymeric Photoinitiators HENKEL AG & CO KGAA (DE) 2012-08-01 EP disclosed
US-7799884-B2 Polymeric photoinitiators HENKEL AG & CO. KGAA (DE) 2010-09-21 US disclosed
US-7795364-B2 Polymeric photoinitiators HENKEL AG & CO. KGAA (DE) 2010-09-14 US disclosed
EP-2060589-A2 Polymeric Photoinitiators NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2009-05-20 EP disclosed
EP-2050766-A2 Polymeric Photoinitiators NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2009-04-22 EP disclosed
EP-1519964-B1 POLYMERIC PHOTOINITIATORS NAT STARCH CHEM INVEST (US) 2009-02-18 EP disclosed
CN-100354315-C Polymeric photoinitiators NAT STARCH CHEM INVEST (US) 2007-12-12 CN disclosed
US-20070208099-A1 Amide linked maleinized addition polymer, especially a diene polymer, reacted with an aminated benzophenone, benzil, thioxanthone, 2,3-norboradione, anthraquinone, coumarone, or 3-carbonylcoumarone; UV curable adhesives, coatings, encapsulants; thiol-ene photocurable compositions NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2007-09-06 US disclosed
US-20070078246-A1 Type II H-extraction; mercapto-functional benzophenone-type chromophore bound to butadiene/styrene rubber so it does not remain in final odorless product; UV radiation curable hot melt pressure sensitive adhesive; photocurable composition with multifunctional thiol crosslinker and a polyene; thiol-ene NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2007-04-05 US disclosed
US-7157535-B2 Polymeric photoinitiators NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2007-01-02 US disclosed
CN-1662559-A Polymeric photoinitiators NAT STARCH CHEM INVEST (US) 2005-08-31 CN disclosed
EP-1519964-A2 POLYMERIC PHOTOINITIATORS National Starch and Chemical Investment Holding Corporation (US) 2005-04-06 EP disclosed
WO-2004000889-A2 POLYMERIC PHOTOINITIATORS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2003-12-31 WO disclosed
US-20030236425-A1 Polymeric photoinitiators HENKEL AG & CO. KGAA (DE) 2003-12-25 US disclosed