SCHEMBL9101250

SCHEMBL9101250

CCC1=CCCC(C2=COC=C(C(=O)N(N)C(=O)OC(C)(C)C)O2)=C1

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
SCHEMBL668929 0.77
SCHEMBL3973912 0.64
SCHEMBL14688081 0.62
SCHEMBL6624467 0.58 NPC1 (0.30)
SCHEMBL1706932 0.57 HDAC6 (0.38)
SCHEMBL3361720 0.56 HDAC6 (0.35)
SCHEMBL12812508 0.56 TSHR (0.33)
SCHEMBL9101239 0.55 MTNR1A (0.33)
SCHEMBL4514786 0.55 ALDH1A1 (0.43)
SCHEMBL5737167 0.54 MAPT (0.42)

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
US-20170342440-A1 Mutant Receptors and Their Use in a Nuclear Receptor-Based Inducible Gene Expression System INTREXON CORP (US) 2017-11-30 US disclosed
EP-3219204-A1 MUTANT RECEPTORS AND THEIR USE IN A NUCLEAR RECEPTOR-BASED INDUCIBLE GENE EXPRESSION SYSTEM Intrexon Corporation (US) 2017-09-20 EP disclosed
EP-2460786-B1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-01-13 EP disclosed
EP-2292088-B1 Mutant receptors and their use in a nuclear receptor-based inducible gene expression system INTREXON CORP (US) 2013-01-30 EP disclosed
US-20120185954-A1 Mutant Receptors and Their Use in a Nuclear Receptor-Based Inducible Gene Expression INTREXON CORPORATION (US) 2012-07-19 US disclosed
EP-2460786-A1 Bioavailable diacylhydrazine ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2012-06-06 EP disclosed