SCHEMBL5165804

SCHEMBL5165804

O=C(O)CC(CO)CO.[Ni]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
CACNA2D1 P54289 2/20 0.41
CACNB3 P54284 1/20 0.41
CACNA1C Q13936 1/20 0.41
PGR P06401 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
CACNA2D2 Q9NY47 1/20 0.41
GABRR1 P24046 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37
OR51E2 Q9H255 1/20 0.36
FOLH1 Q04609 2/20 0.35
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
LDHA P00338 1/20 0.32

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
SCHEMBL45197 0.97
Ammonia Solution, Strong SCHEMBL10355456 0.94 TDP1 (0.50) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL5905762 0.94 SLC22A6 (0.45) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL28173678 0.94 SLC22A6 (0.45) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL5080081 0.94 SLC22A6 (0.45) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL5144811 0.94 SLC22A6 (0.45) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL1100230 0.94 SLC22A6 (0.45) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL5144412 0.94 SLC22A6 (0.45) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL5905658 0.94 SLC22A6 (0.45) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3
SCHEMBL28174672 0.94 SLC22A6 (0.45) SLC22A6TDP1SMN1; SMN2CACNA2D1CACNB3

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-107210083-A Composition for forming conductive pattern and method for forming conductive pattern 昭和电工株式会社 2017-09-26 CN disclosed
EP-1551893-A4 POLYURETHANE IONOMERS AND METHODS FOR THEIR PREPARATION AND FORMATION RISEN WILLIAM M JR (US) 2007-05-09 EP disclosed
US-20060030666-A1 Polyurethane ionomers and methods for their preparation and formation RISEN WILLIAM JR 2006-02-09 US disclosed
US-6958380-B2 Polyurethane ionomers and methods for their preparation and formation CALLAWAY GOLF COMPANY (US) 2005-10-25 US disclosed
US-6949604-B2 Polyurethane ionomer blends and methods for their preparation and formation BROWN UNIVERSITY (US) 2005-09-27 US disclosed
EP-1551893-A1 POLYURETHANE IONOMERS AND METHODS FOR THEIR PREPARATION AND FORMATION Risen, William M Jr. (US) 2005-07-13 EP disclosed
WO-2004110604-A2 POLYURETHANE IONOMER BLENDS AND METHODS FOR THEIR PREPARATION AND FORMATION RISEN WILLIAM (US) 2004-12-23 WO disclosed
WO-2004003047-A1 POLYURETHANE IONOMERS AND METHODS FOR THEIR PREPARATION AND FORMATION RISEN WILLIAM (US) 2004-01-08 WO disclosed
US-20030199662-A1 Polyurethane ionomer blends and methods for their preparation and formation RISEN WILLIAM M (US) 2003-10-23 US disclosed
US-20030109648-A1 Polyurethane ionomers and methods for their preparation and formation RISEN WILLIAM M (US) 2003-06-12 US disclosed