SCHEMBL6032769

SCHEMBL6032769

C=CCc1nc(CCC#N)c[nH]1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
Gallic Acid SCHEMBL28682111 0.83 KDM4E (0.38) ALDH1A1
SCHEMBL31536694 0.83 MEN1 (0.32)
Water SCHEMBL28396886 0.81
SCHEMBL1076387 0.79
SCHEMBL19689367 0.78
SCHEMBL5134229 0.78 PKM (0.31)
SCHEMBL6690196 0.78 HRH4 (0.36)
Hydrochloric Acid SCHEMBL16649758 0.77
SCHEMBL9342802 0.77
Bromide SCHEMBL27783864 0.77

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
CN-113861016-B Cyanoethyl alkyl imidazole gallate ionic liquid and preparation method and application thereof 昆明理工大学 2022-10-28 CN claimed
CN-113861016-A Cyanoethyl alkyl imidazole gallate ionic liquid and preparation method and application thereof 昆明理工大学 2021-12-31 CN claimed
WO-2006109948-A1 LITHIUM SECONDARY BATTERY CONTAINING SILICON-BASED OR TIN-BASED ANODE ACTIVE MATERIAL LG CHEM, LTD. (KR) 2006-10-19 WO claimed
CN-113861016-B Cyanoethyl alkyl imidazole gallate ionic liquid and preparation method and application thereof 昆明理工大学 2022-10-28 CN disclosed
CN-113861016-B Cyanoethyl alkyl imidazole gallate ionic liquid and preparation method and application thereof 昆明理工大学 2022-10-28 CN disclosed
CN-113861016-A Cyanoethyl alkyl imidazole gallate ionic liquid and preparation method and application thereof 昆明理工大学 2021-12-31 CN disclosed
CN-113861016-A Cyanoethyl alkyl imidazole gallate ionic liquid and preparation method and application thereof 昆明理工大学 2021-12-31 CN disclosed
WO-2006109948-A1 LITHIUM SECONDARY BATTERY CONTAINING SILICON-BASED OR TIN-BASED ANODE ACTIVE MATERIAL LG CHEM, LTD. (KR) 2006-10-19 WO disclosed