SCHEMBL21490460

SCHEMBL21490460

C#CCc1cccnc1.O=S(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CHRNA7 P36544 2/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CYP2A6 P11509 1/20 0.42
FDPS P14324 3/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TBXAS1 P24557 1/20 0.40
BTN3A1 O00481 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3207879 0.92
SCHEMBL21490463 0.76 LOXL2 (0.39) CYP1A2CYP2D6FDPSCYP3A4CYP2C9
SCHEMBL272334 0.76
SCHEMBL7052160 0.73 CHRNA7 (0.57) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL30292864 0.73 CHRNA7 (0.57) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL11488325 0.73 CHRNB2 (0.46) NAPRTCYP1A2CYP2D6CHRNA7CHRNB2
SCHEMBL4358547 0.72
SCHEMBL2560125 0.72
SCHEMBL5368313 0.72
SCHEMBL4575811 0.72

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