SCHEMBL23880301

SCHEMBL23880301

O=C(CBr)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.64
▸ LMNA P02545 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ HK2 P52789 5/20 0.50
▸ HK1 P19367 4/20 0.50
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL23880304 1.00 PYGB (0.64) PYGBLMNAKDM4ECYP2D6CYP2C19
SCHEMBL22552555 0.86 LMNA (0.57) PYGBLMNAKDM4ECYP2D6CYP2C19
SCHEMBL12190147 0.86 LMNA (0.57) PYGBLMNAKDM4ECYP2D6CYP2C19
SCHEMBL15966274 0.86 LMNA (0.57) PYGBLMNAKDM4ECYP2D6CYP2C19
SCHEMBL29532523 0.86 LMNA (0.57) PYGBLMNAKDM4ECYP2D6CYP2C19
SCHEMBL15965658 0.86 LMNA (0.57) PYGBLMNAKDM4ECYP2D6CYP2C19
SCHEMBL18467702 0.86 LMNA (0.57) PYGBLMNAKDM4ECYP2D6CYP2C19
SCHEMBL24943581 0.83 PYGB (0.64) PYGBLMNAKDM4ECYP2D6CYP2C19
SCHEMBL12015060 0.83 LMNA (0.55) PYGBLMNAKDM4ECYP2D6CYP2C19
SCHEMBL24252744 0.83 KDM4E (0.55) PYGBLMNAKDM4ECYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115140813-A System and method for large scale activation of water and use of activated water 伊戈尔·斯米尔诺夫 2022-10-04 — — CN disclosed
EP-3945072-A1 SYSTEMS AND METHODS FOR THE LARGE SCALE ACTIVATION OF WATER AND USES OF ACTIVATED WATER Smirnov, Igor (LV) 2022-02-02 — — EP disclosed
US-20210308263-A1 SYSTEMS AND METHODS FOR THE LARGE SCALE ACTIVATION OF WATER AND METHODS OF USING ACTIVATED WATER SMIRNOV IGOR (LV) 2021-10-07 — — US disclosed
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