SCHEMBL14645994

SCHEMBL14645994

COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(C)C2[Si](C)(C)C1C(C)=Cc2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C(C)(C)C)cc21

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
SCHEMBL14645915 0.96 PDE4B (0.31)
SCHEMBL17403188 0.94
SCHEMBL15808892 0.94
SCHEMBL3736095 0.89 PDE4B (0.35)
SCHEMBL14645916 0.88
SCHEMBL14645988 0.88
SCHEMBL15917311 0.88
SCHEMBL21433858 0.87
SCHEMBL15808847 0.87 PDE4A (0.31)
SCHEMBL29873709 0.87 PTGS2 (0.31)

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 US claimed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US claimed
EP-2729479-B1 CATALYSTS BOREALIS AG (AT) 2017-09-06 EP disclosed
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 US disclosed
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 US disclosed
US-9567351-B2 Heterophasic copolymers BOREALIS AG (AT) 2017-02-14 US disclosed
US-9567351-B2 Heterophasic copolymers BOREALIS AG (AT) 2017-02-14 US disclosed
EP-2729529-B1 HETEROPHASIC COPOLYMERS BOREALIS AG (AT) 2016-04-27 EP disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-9187583-B2 Catalysts BOREALIS AG (AT) 2015-11-17 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
US-20140206819-A1 HETEROPHASIC COPOLYMERS BOREALIS AG (AT) 2014-07-24 US disclosed
US-20140206819-A1 HETEROPHASIC COPOLYMERS BOREALIS AG (AT) 2014-07-24 US disclosed
US-20140206819-A1 HETEROPHASIC COPOLYMERS BOREALIS AG (AT) 2014-07-24 US disclosed
EP-2729529-A1 HETEROPHASIC COPOLYMERS Borealis AG (AT) 2014-05-14 EP disclosed
WO-2013007664-A1 HETEROPHASIC COPOLYMERS BOREALIS AG (AT) 2013-01-17 WO disclosed