SCHEMBL30661007

SCHEMBL30661007

CCCCN1C=CN(C)C1.[Na]

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLB1 P16278 1/20 0.33

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
SCHEMBL34970 0.98 GLB1 (0.34) GLB1
Hydrochloric Acid SCHEMBL36720 0.95 GLB1 (0.33) GLB1
Fluoride SCHEMBL1898686 0.95 GLB1 (0.33) GLB1
SCHEMBL28851905 0.95 GLB1 (0.38) GLB1
SCHEMBL679888 0.95 GLB1 (0.33) GLB1
Water SCHEMBL23500119 0.95 GLB1 (0.33) GLB1
Bromide SCHEMBL232598 0.95 GLB1 (0.33) GLB1
Bromide SCHEMBL582482 0.95 GLB1 (0.33) GLB1
Hydrochloric Acid SCHEMBL15768463 0.95 GLB1 (0.33) GLB1
Hydrochloric Acid SCHEMBL28999871 0.95 GLB1 (0.33) GLB1

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-113813995-B Ionic liquid catalyst for catalytic synthesis of methyl acetate, application of ionic liquid catalyst and method for catalytic synthesis of methyl acetate 兖矿水煤浆气化及煤化工国家工程研究中心有限公司 2023-10-20 CN disclosed