SCHEMBL821817

SCHEMBL821817

C=CCN(CC=C)c1cc[c]cc1.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.42
CYP1A2 P05177 1/20 0.31

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
SCHEMBL252675 0.98 CHKA (0.43) CHKACYP1A2
SCHEMBL6775781 0.86 ALDH1A1 (0.38) CHKA
SCHEMBL851567 0.81 CHKA (0.50) CHKACYP1A2
SCHEMBL3290812 0.77 PYCR1 (0.35)
SCHEMBL4047348 0.75 ESR1 (0.38) CYP1A2
SCHEMBL7162904 0.75 CHKA (0.46) CHKACYP1A2
SCHEMBL6466250 0.75 CHKA (0.46) CHKACYP1A2
SCHEMBL11032897 0.75 CHKA (0.46) CHKACYP1A2
SCHEMBL6692403 0.75 CHKA (0.46) CHKACYP1A2
SCHEMBL83762 0.75 CHKA (0.46) CHKACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2277948-B1 Polyhedral-modified polymer BRIDGESTONE CORP (JP) 2015-02-18 EP disclosed
US-8623955-B2 Polyhedral-modified polymer BRIDGESTONE CORPORATION (JP) 2014-01-07 US disclosed
US-20130041096-A1 POLYHEDRAL-MODIFIED POLYMER BRIDGESTONE CORPORATION (JP) 2013-02-14 US disclosed
US-8236888-B2 Polyhedral-modified polymer BRIDGESTONE CORPORATION (JP) 2012-08-07 US disclosed
US-20120010355-A1 POLYHEDRAL-MODIFIED POLYMER BRIDGESTONE CORPORATION (JP) 2012-01-12 US disclosed
US-7999029-B2 Polyhedral-modified polymer BRIDGESTONE CORPORATION (JP) 2011-08-16 US disclosed
EP-1828307-B1 POLYHEDRAL-MODIFIED POLYMER BRIDGESTONE CORP (JP) 2011-05-04 EP disclosed
EP-2277948-A1 Polyhedral-modified polymer Bridgestone Corporation (JP) 2011-01-26 EP disclosed
US-20070293620-A1 Polyhedral-Modified Polymer BRIDGESTONE CORPORATION (JP) 2007-12-20 US disclosed
EP-1828307-A1 POLYHEDRAL-MODIFIED POLYMER Bridgestone Corporation (JP) 2007-09-05 EP disclosed
WO-2006050486-A1 POLYHEDRAL-MODIFIED POLYMER BRIDGESTONE CORPORATION (JP) 2006-05-11 WO disclosed