SCHEMBL28980832

SCHEMBL28980832

C[n+]1ccccc1.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
SLC22A3 O75751 1/20 0.46
SLC6A4 P31645 1/20 0.46
CHAT P28329 2/20 0.35
ACHE P22303 2/20 0.33
HDAC8 Q9BY41 6/20 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
SCHEMBL29073422 1.00 SLC22A2 (0.46) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
SCHEMBL29737327 1.00 SLC22A2 (0.46) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
SCHEMBL1072211 1.00 SLC22A2 (0.46) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
SCHEMBL9040376 0.86 SLC22A2 (0.47) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Phosphine SCHEMBL28449233 0.86
SCHEMBL27002 0.86
Hydrochloric Acid SCHEMBL3738031 0.82
Fluoride SCHEMBL21633960 0.82 SLC22A2 (0.45) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
SCHEMBL17810308 0.82 SLC22A2 (0.45) SLC22A2SLC22A1SLC22A3SLC6A4CHAT
Ethane SCHEMBL22264538 0.82

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
CN-115939519-A Electrolyte and battery containing same 蜂巢能源科技(无锡)有限公司 2023-04-07 CN claimed
CN-115939519-A Electrolyte and battery containing same 蜂巢能源科技(无锡)有限公司 2023-04-07 CN disclosed