SCHEMBL330544

SCHEMBL330544

CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCC[N+](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.45
DNM1 Q05193 7/20 0.42
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KCNH2 Q12809 1/20 0.41
HIF1A Q16665 1/20 0.41
APAF1 O14727 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RAD52 P43351 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CA2 P00918 1/20 0.38

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
SCHEMBL330654 1.00 LIPG (0.45) LIPGDNM1LMNACYP2D6CYP2C9
Cetrimonium SCHEMBL330808 1.00 LIPG (0.45) LIPGDNM1LMNACYP2D6CYP2C9
SCHEMBL330887 0.92 MLNR (0.47) LIPGDNM1LMNAHTTKCNH2
Didecyldimethylammonium SCHEMBL332030 0.92 MLNR (0.47) LIPGDNM1LMNAHTTKCNH2
SCHEMBL331700 0.92 LIPG (0.45) LIPGDNM1LMNACYP2D6CYP2C9
SCHEMBL331184 0.92 LIPG (0.45) LIPGDNM1LMNACYP2D6CYP2C9
SCHEMBL330535 0.92 LIPG (0.45) LIPGDNM1LMNACYP2D6CYP2C9
SCHEMBL330692 0.92 LIPG (0.45) LIPGDNM1LMNACYP2D6CYP2C9
Cetrimonium SCHEMBL4887127 0.92 LMNA (0.51) LIPGDNM1LMNACYP2D6CYP2C9
SCHEMBL331387 0.92 LIPG (0.47) LIPGLMNACYP2D6CYP2C9TSHR

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