SCHEMBL25873254

SCHEMBL25873254

O=S(=O)(O)C1CCCCCNC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.53
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRG2 P18507 1/20 0.50
NFKB1 P19838 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRA6 Q16445 1/20 0.50
SLC6A1 P30531 2/20 0.36
SLC6A11 P48066 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL19815803 0.91 APLNR (0.63) APLNRLMNATSHRCYP3A4GABRA1
SCHEMBL525148 0.91 APLNR (0.63) APLNRLMNATSHRCYP3A4GABRA1
Hydrochloric Acid SCHEMBL28303066 0.89 APLNR (0.61) APLNRLMNATSHRCYP3A4GABRA1
SCHEMBL3101278 0.82
SCHEMBL25948765 0.79 APLNR (0.53) APLNRLMNATSHRCYP3A4GABRA1
SCHEMBL25040398 0.77 APLNR (0.88) APLNRLMNATSHRCYP3A4GABRA1
SCHEMBL30600203 0.77 APLNR (0.55) APLNRLMNATSHRCYP3A4GABRA1
SCHEMBL30889121 0.77 APLNR (0.88) APLNRLMNATSHRCYP3A4GABRA1
SCHEMBL3004 0.77 TSHR (0.55) APLNRLMNATSHRCYP3A4GABRA1
SCHEMBL329394 0.77 TSHR (0.55) APLNRLMNATSHRCYP3A4GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230246229-A1 ORGANIC SULFONATE ELECTROLYTE ADDITIVES FOR ZINC BATTERIES Octet Scientific, Inc. 2023-08-03 US disclosed
WO-2023141301-A1 ORGANIC SULFONATE ELECTROLYTE ADDITIVES FOR ZINC BATTERIES Octet Scientific, Inc. (US) 2023-07-27 WO disclosed