SCHEMBL331191

SCHEMBL331191

CCCCCCCC[N+](CC)(CC)CC.CCS(=O)(=O)O

nearest known ligand 0.70

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 16)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.70
SLC22A1 O15245 3/20 0.56
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
ALOX12 P18054 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SLC22A2 O15244 1/20 0.52
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AA1 P07900 1/20 0.41
RAD52 P43351 1/20 0.41

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
SCHEMBL330863 1.00 DNM1 (0.70) DNM1SLC22A1ALDH1A1TP53CYP3A4
Sulfuric Acid SCHEMBL27417097 0.93 DNM1 (0.73) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL330482 0.93 SLC22A1 (0.65) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL331696 0.93 SLC22A1 (0.65) DNM1SLC22A1ALDH1A1TP53CYP3A4
Tetrahexylammonium SCHEMBL330970 0.93 SLC22A1 (0.65) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL332025 0.91 DNM1 (0.70) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL331141 0.91 DNM1 (0.70) DNM1SLC22A1ALDH1A1TP53CYP3A4
Sulfuric Acid SCHEMBL28271615 0.91 DNM1 (0.68) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL330865 0.91 SLC22A1 (0.62) DNM1SLC22A1ALDH1A1TP53CYP3A4
SCHEMBL330760 0.90 DNM1 (0.61) DNM1SLC22A1ALDH1A1TP53CYP3A4

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
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
CN-102977309-B Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSU CHEMICALS INC 2015-04-15 CN disclosed
CN-102066450-B Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2013-11-06 CN disclosed
CN-102977309-A Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2013-03-20 CN 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
CN-102066450-A Polymerizable composition for polythiourethane optical material, polythiourethane optical material obtained from the polymerizable composition, and polymerization catalyst for polythiourethane optical material MITSUI CHEMICALS INC 2011-05-18 CN 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