SCHEMBL330697

SCHEMBL330697

CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.CCS(=O)(=O)O

nearest known ligand 0.48

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 11/20 0.48
HTT P42858 2/20 0.48
SLC22A1 O15245 1/20 0.46
LSS P48449 1/20 0.44
KMT2A Q03164 1/20 0.44
APAF1 O14727 1/20 0.44
HSP90AA1 P07900 1/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL330578 1.00 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL332291 1.00 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL331461 1.00 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
Sulfuric Acid SCHEMBL2524035 0.93 DNM1 (0.50) DNM1HTTSLC22A1LSSKMT2A
Sulfuric Acid SCHEMBL27681657 0.93 DNM1 (0.50) DNM1HTTSLC22A1LSSKMT2A
Sulfuric Acid SCHEMBL4151448 0.93 DNM1 (0.50) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL3190233 0.91 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL10968152 0.91 DNM1 (0.48) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL332175 0.90 DNM1 (0.43) DNM1HTTSLC22A1LSSKMT2A
SCHEMBL17817245 0.90 DNM1 (0.45) 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