SCHEMBL28449796

SCHEMBL28449796

C=Cn1cc[n+](C(O)CCC)c1.F[B-](F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.32

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
SCHEMBL28455762 0.81 ALDH1A1 (0.37) ALDH1A1GAAPOLB
SCHEMBL28454125 0.80 ALDH1A1 (0.36) ALDH1A1GAAPOLB
SCHEMBL28804133 0.74 ALDH1A1 (0.36) ALDH1A1GAAPOLB
SCHEMBL21291697 0.72 ALDH1A1 (0.39) ALDH1A1GAAPOLB
Water SCHEMBL28864310 0.71 ALDH1A1 (0.38) ALDH1A1GAAPOLB
SCHEMBL16857514 0.71
Bromide SCHEMBL16341412 0.71 ALDH1A1 (0.41) ALDH1A1GAAPOLB
SCHEMBL20853724 0.70 ALDH1A1 (0.37) ALDH1A1GAAPOLB
SCHEMBL1024489 0.69 ALDH1A1 (0.47) ALDH1A1GAAPOLB
Bromide SCHEMBL28489503 0.69

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-111617641-B Imidazole functionalized ionic liquid copolymer synthesis and alloy ultrafiltration membrane preparation method 天津工业大学 2021-12-10 CN disclosed
CN-111617641-A Imidazole functionalized ionic liquid copolymer synthesis and alloy ultrafiltration membrane preparation method 天津工业大学 2020-09-04 CN disclosed