SCHEMBL1304032

SCHEMBL1304032

[C]1C=C[C]c2ccccc21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.31
ALOX12 P18054 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
SCHEMBL441664 0.72
SCHEMBL7600118 0.68
SCHEMBL237481 0.67
SCHEMBL8058639 0.67 CYP2A6 (0.36) CYP2A6ALOX12
SCHEMBL205284 0.67
SCHEMBL29767688 0.67 CYP2A6 (0.36) CYP2A6ALOX12
SCHEMBL8776016 0.67 CYP2A6 (0.36) CYP2A6ALOX12
SCHEMBL9148625 0.67 CYP2A6 (0.36) CYP2A6ALOX12
SCHEMBL9629177 0.59
SCHEMBL9629175 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709632-B2 such as porphyrins, chlorins, texaphyrins via cyclization, oligomerization JOHNSON THOMAS E 2010-05-04 US claimed
EP-1716153-B1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2013-10-09 EP disclosed
US-20120157658-A1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2012-06-21 US disclosed
US-8053571-B2 Methods, compositions, and apparatuses for forming macrocyclic compounds JOHNSON THOMAS E 2011-11-08 US disclosed
US-20100216970-A1 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E 2010-08-26 US disclosed
US-7709632-B2 such as porphyrins, chlorins, texaphyrins via cyclization, oligomerization JOHNSON THOMAS E 2010-05-04 US disclosed
EP-1716153-A4 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2008-12-17 EP disclosed
US-20070217965-A1 Methods, compositions, and apparatuses for forming macrocyclic compounds JOHNSON THOMAS E 2007-09-20 US disclosed
EP-1716153-A2 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS Johnson, Thomas E. (US) 2006-11-02 EP disclosed
WO-2006025859-A2 METHODS, COMPOSITIONS, AND APPARATUSES FOR FORMING MACROCYCLIC COMPOUNDS JOHNSON THOMAS E (US) 2006-03-09 WO disclosed