SCHEMBL28604117

SCHEMBL28604117

C=C[n+]1ccn(C)c1CCC.COS(=O)(=O)[O-]

nearest known ligand 0.31

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
LMNA P02545 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
SCHEMBL28598098 0.90 HTT (0.30) HTT
SCHEMBL28599015 0.89 LMNA (0.32) HTTLMNA
SCHEMBL6738038 0.79 PSMD14 (0.32)
SCHEMBL28604119 0.73 HTT (0.31) HTTLMNA
SCHEMBL13822602 0.72 HDAC8 (0.30)
Iodide SCHEMBL28977709 0.71 APOBEC3A (0.32)
SCHEMBL28722829 0.71 APOBEC3A (0.42) HTTLMNA
SCHEMBL28724258 0.71
SCHEMBL15559765 0.70 HTT (0.42) HTTLMNA
SCHEMBL19548308 0.70 HTT (0.42) HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113130992-B Non-aqueous electrolyte and lithium ion battery 诺莱特电池材料(苏州)有限公司 2022-09-23 CN claimed
CN-113130992-A Non-aqueous electrolyte and lithium ion battery 诺莱特电池材料(苏州)有限公司 2021-07-16 CN claimed
CN-113130992-B Non-aqueous electrolyte and lithium ion battery 诺莱特电池材料(苏州)有限公司 2022-09-23 CN disclosed
CN-113130992-A Non-aqueous electrolyte and lithium ion battery 诺莱特电池材料(苏州)有限公司 2021-07-16 CN disclosed