SCHEMBL21490463

SCHEMBL21490463

C#CCc1ccncc1.O=S(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A3 Q01959 1/20 0.38
FDPS P14324 1/20 0.33
POLB P06746 1/20 0.33
HRH1 P35367 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B2 P19099 1/20 0.31
KEAP1 Q14145 1/20 0.31

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
SCHEMBL2574518 0.91
SCHEMBL7106119 0.78 MAPT (0.48) HDAC8CYP3A4CYP2D6CYP11B1CYP17A1
SCHEMBL21490460 0.76 NAPRT (0.46) CYP3A4CYP1A2CYP2D6CYP2C9FDPS
Pyridine SCHEMBL28321551 0.73 CAPN1 (0.32)
SCHEMBL123259 0.72
SCHEMBL13907293 0.71 LOXL2 (0.50) LOXL2HDAC8CYP3A4ALDH1A1CYP1A2
SCHEMBL6319772 0.68 LOXL2 (0.50) LOXL2HDAC8CYP3A4ALDH1A1CYP1A2
SCHEMBL5566555 0.67
SCHEMBL254403 0.67
SCHEMBL4243 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11177505-B2 Pyridine sulfur trioxide complexes as electrolyte component for high voltage batteries BASF SE (DE) 2021-11-16 US claimed
EP-3566258-B1 PYRIDINE SULFUR TRIOXIDE COMPLEXES AS ELECTROLYTE COMPONENT FOR HIGH VOLTAGE BATTERIES BASF SE (DE) 2020-10-21 EP claimed
EP-3566258-A1 PYRIDINE SULFUR TRIOXIDE COMPLEXES AS ELECTROLYTE COMPONENT FOR HIGH VOLTAGE BATTERIES BASF SE (DE) 2019-11-13 EP claimed
US-20190326642-A1 PYRIDINE SULFUR TRIOXIDE COMPLEXES AS ELECTROLYTE COMPONENT FOR HIGH VOLTAGE BATTERIES BASF SE (DE) 2019-10-24 US claimed
US-11177505-B2 Pyridine sulfur trioxide complexes as electrolyte component for high voltage batteries BASF SE (DE) 2021-11-16 US disclosed
EP-3566258-B1 PYRIDINE SULFUR TRIOXIDE COMPLEXES AS ELECTROLYTE COMPONENT FOR HIGH VOLTAGE BATTERIES BASF SE (DE) 2020-10-21 EP disclosed
EP-3566258-A1 PYRIDINE SULFUR TRIOXIDE COMPLEXES AS ELECTROLYTE COMPONENT FOR HIGH VOLTAGE BATTERIES BASF SE (DE) 2019-11-13 EP disclosed
US-20190326642-A1 PYRIDINE SULFUR TRIOXIDE COMPLEXES AS ELECTROLYTE COMPONENT FOR HIGH VOLTAGE BATTERIES BASF SE (DE) 2019-10-24 US disclosed