SCHEMBL2218376

SCHEMBL2218376

OCCSCC(CO)SC(CO)CSCCO

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL2214777 0.82 TDP1 (0.43) TDP1
SCHEMBL20512729 0.80 TDP1 (0.41) TDP1
SCHEMBL2214757 0.78 TDP1 (0.39) TDP1CYP1A2CYP2C9
SCHEMBL11584678 0.76 TDP1 (0.47) TDP1
SCHEMBL2216458 0.74 TDP1 (0.38) TDP1
SCHEMBL18947367 0.74 TDP1 (0.45) TDP1
SCHEMBL21410083 0.72 TDP1 (0.33) TDP1
SCHEMBL24228160 0.72 TDP1 (0.50) TDP1
SCHEMBL4585746 0.70
SCHEMBL4456623 0.69 TSHR (0.33) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104211623-A PROCESS FOR PRODUCING (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND MITSUI CHEMICALS INC 2014-12-17 CN disclosed
EP-2008998-B1 PROCESS FOR PRODUCTION OF (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2013-06-05 EP disclosed
US-20110178264-A1 PROCESS FOR PRODUCING (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND MITSUI CHEMICALS, INC. (JP) 2011-07-21 US disclosed
US-20100298521-A1 PROCESS FOR PRODUCING (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-11-25 US disclosed
US-20090264613-A1 PROCESS FOR PRODUCING (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND MITSUI CHEMICALS, INC. (JP) 2009-10-22 US disclosed
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
EP-2008998-A1 PROCESS FOR PRODUCTION OF (POLY)THIOL COMPOUND FOR USE AS OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-31 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed