SCHEMBL332175

SCHEMBL332175

CCCCCC[N+](C)(CCCCCC)CCCCCC.CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 10/20 0.43
HTT P42858 2/20 0.43
ENPP2 Q13822 2/20 0.41
SLC22A1 O15245 1/20 0.41
LSS P48449 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL330853 1.00 DNM1 (0.43) DNM1HTTENPP2SLC22A1LSS
SCHEMBL331764 1.00 DNM1 (0.43) DNM1HTTENPP2SLC22A1LSS
SCHEMBL330533 1.00 DNM1 (0.43) DNM1HTTENPP2SLC22A1LSS
SCHEMBL17817627 0.92 DNM1 (0.45) DNM1HTTENPP2SLC22A1LSS
SCHEMBL14556985 0.92 ENPP2 (0.45) DNM1HTTENPP2SLC22A1LSS
SCHEMBL17817245 0.92 DNM1 (0.45) DNM1HTTENPP2SLC22A1LSS
Water SCHEMBL29991942 0.90 ENPP2 (0.44) DNM1HTTENPP2SLC22A1LSS
SCHEMBL330578 0.90 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL330697 0.90 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL332291 0.90 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295484-B1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2018-01-17 EP disclosed
EP-2407498-B1 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC (JP) 2017-11-15 EP disclosed
US-8304507-B2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS, INC. (JP) 2012-11-06 US disclosed
EP-2407498-A2 Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material Mitsui Chemicals, Inc. (JP) 2012-01-18 EP disclosed
US-20110112269-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM THE POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2011-05-12 US disclosed
EP-2295484-A1 POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYTHIOURETHANE OPTICAL MATERIAL OBTAINED FROM SAME POLYMERIZABLE COMPOSITION, AND POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL Mitsui Chemicals, Inc. (JP) 2011-03-16 EP disclosed