SCHEMBL6561563

SCHEMBL6561563

C=CC(=O)OC12CC3CC(O)(C1)CC(OC(=O)C=C)(C3)C2

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
SCHEMBL513151 0.97 DPP4 (0.31)
SCHEMBL3291365 0.91 TSHR (0.30)
SCHEMBL12170587 0.90
SCHEMBL12153601 0.89
SCHEMBL685080 0.88 MEN1 (0.31)
SCHEMBL22176955 0.88
SCHEMBL1733487 0.87
SCHEMBL1732421 0.87
SCHEMBL6560073 0.85 HSD11B1 (0.31)
SCHEMBL42912 0.85 PKM (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865382-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus, and process for producing electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 2014-10-21 US disclosed
US-8865382-B2 Electrophotographic photosensitive member, process cartridge and electrophotographic apparatus, and process for producing electrophotographic photosensitive member CANON KABUSHIKI KAISHA (JP) 2014-10-21 US disclosed
US-8546052-B2 2013-10-01 US disclosed
US-8546052-B2 2013-10-01 US disclosed
EP-0915077-B1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAICEL CHEM (JP) 2004-11-17 EP disclosed
US-6235851-B1 ESTERIFICATION OR AMIDATION REACTION OF AN ADAMANTANE DERIVATIVE; GROUP 3A METAL CATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915077-A1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 1999-05-12 EP disclosed