SCHEMBL29548313

SCHEMBL29548313

CCNn1ccnc1.[O-][Br+2]([O-])O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
QPCT Q16769 2/20 0.31
NFKB1 P19838 1/20 0.31
HSD17B10 Q99714 1/20 0.31
QPCTL Q9NXS2 1/20 0.31
TBXAS1 P24557 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
SCHEMBL2786027 0.88
Hydrochloric Acid SCHEMBL27744922 0.86
Nitric Acid SCHEMBL27744919 0.82 HSP90AA1 (0.36) ALDH1A1QPCT
SCHEMBL28563389 0.81 NFKB1 (0.33) QPCTNFKB1HSD17B10QPCTLTBXAS1
SCHEMBL5393991 0.72
Hydrochloric Acid SCHEMBL9020707 0.71 QPCT (0.39) QPCTNFKB1HSD17B10QPCTLTBXAS1
SCHEMBL28165347 0.69 TBXAS1 (0.44) ALDH1A1QPCTNFKB1HSD17B10QPCTL
SCHEMBL529880 0.68 TBXAS1 (0.47) ALDH1A1QPCTNFKB1HSD17B10QPCTL
1-Methylimidazole SCHEMBL30585397 0.67 NFKB1 (0.71) ALDH1A1QPCTNFKB1HSD17B10QPCTL
SCHEMBL15145725 0.67

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-112774569-B Fluorine-containing imidazole surfactant and preparation method and application thereof 江门市华熊新材料有限公司 2022-04-08 CN claimed
CN-112774569-B Fluorine-containing imidazole surfactant and preparation method and application thereof 江门市华熊新材料有限公司 2022-04-08 CN disclosed