SCHEMBL1768562

SCHEMBL1768562

O=C1C=CC(=O)N1.[Zr]

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL715867 0.96 GSK3B (1.00)
SCHEMBL33524954 0.96
SCHEMBL10990 0.96
SCHEMBL7021498 0.96
SCHEMBL693917 0.96 GSK3B (1.00)
Charcoal, Activated SCHEMBL8357494 0.92
SCHEMBL8835188 0.92
SCHEMBL9862604 0.92 GSK3A (0.92)
Charcoal, Activated SCHEMBL4128314 0.92 GSK3A (0.92)
SCHEMBL4657701 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496270-B1 ZIRCONIUM-RADIOLABELED, CYSTEINE ENGINEERED ANTIBODY CONJUGATES HOFFMANN LA ROCHE (CH) 2018-01-31 EP disclosed
CN-102596260-B Radiolabeled, the cysteine engineered antibody conjugates of zirconium 弗·哈夫曼-拉罗切有限公司 2017-04-05 CN disclosed
EP-2496270-A1 ZIRCONIUM-RADIOLABELED, CYSTEINE ENGINEERED ANTIBODY CONJUGATES F. Hoffmann-La Roche AG (CH) 2012-09-12 EP disclosed
CN-102596260-A Zirconium-radiolabeled, cysteine engineered antibody conjugates HOFFMANN LA ROCHE 2012-07-18 CN disclosed
WO-2011056983-A1 ZIRCONIUM-RADIOLABELED, CYSTEINE ENGINEERED ANTIBODY CONJUGATES GENENTECH, INC. (US) 2011-05-12 WO disclosed
US-20100111856-A1 ZIRCONIUM-RADIOLABELED, CYSTEINE ENGINEERED ANTIBODY CONJUGATES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 US disclosed