SCHEMBL30749698

SCHEMBL30749698

ClC1=NC(C2CCCCC2)CS1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
NOS3 P29474 2/20 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
SCHEMBL11185665 0.75 NOS1 (0.38) NOS1NOS2NOS3
SCHEMBL6975239 0.67 NOS1 (0.33) NOS1NOS2NOS3
SCHEMBL4045016 0.66
SCHEMBL9054425 0.62 NOS1 (0.48) NOS1NOS2NOS3
SCHEMBL31369274 0.57 NOS1 (0.41) NOS1NOS2NOS3
SCHEMBL18849280 0.56 ALDH1A1 (0.41) NOS1NOS2NOS3
SCHEMBL5473839 0.56 ALDH1A1 (0.41) NOS1NOS2NOS3
SCHEMBL9444949 0.55 ALDH1A1 (0.47)
Biphenyl SCHEMBL2997707 0.54 ALDH1A1 (0.89) NOS1NOS2
SCHEMBL7741464 0.54 ALDH1A1 (0.89) NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117397059-A Conductive material paste for nonaqueous electrolyte secondary battery, slurry composition for nonaqueous electrolyte secondary battery negative electrode, negative electrode for nonaqueous electrolyte secondary battery, and nonaqueous electrolyte secondary battery 日本瑞翁株式会社 2024-01-12 CN disclosed