SCHEMBL4175824

SCHEMBL4175824

[C]1=C=CC1

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
SCHEMBL1178 0.67
SCHEMBL14937506 0.62
SCHEMBL2721254 0.59
SCHEMBL321677 0.59
SCHEMBL958835 0.54
SCHEMBL145291 0.50
SCHEMBL139589 0.47
Water SCHEMBL28769887 0.35
SCHEMBL29889134 0.35
Charcoal, Activated SCHEMBL3432143 0.35

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
EP-1692149-B1 METHOD FOR PRODUCING ORTHOMETALATED AND ORTHOSUBSTITUTED AROMATIC COMPOUNDS SOLVIAS AG (CH) 2009-07-22 EP disclosed
US-7435840-B2 Method for producing orthometalated and orthosubstituted metallocenes SOLVIAS AG (CH) 2008-10-14 US disclosed
US-7375241-B2 Ferrocenyl-1,2-diphosphines, the production thereof and their use SOLVIAS A.G. (CH) 2008-05-20 US disclosed
EP-1692151-B1 FERROCENYL-1, 2-DIPHOSPHINES, THE PRODUCTION THEREOF AND THEIR USE SOLVIAS AG (CH) 2007-09-12 EP disclosed
US-20070149796-A1 Ortho-functionalized mono- and diphosphino- ferrocenes, bisindenylferrocenes and ruthenocenes and their borane complex intermediates; valuable ligands for metal complexes serving as catalysts for, e.g. enantioselective hydrogenations SOLVIAS AG (CH) 2007-06-28 US disclosed
US-20070142655-A1 Ferrocenyl-1,2-diphosphines, the production thereof and their use SOLVIAS AG (CH) 2007-06-21 US disclosed
EP-1692149-A2 METHOD FOR PRODUCING ORTHOMETALATED AND ORTHOSUBSTITUTED AROMATIC COMPOUNDS Solvias AG (CH) 2006-08-23 EP disclosed
EP-1692151-A1 FERROCENYL-1, 2-DIPHOSPHINES, THE PRODUCTION THEREOF AND THEIR USE Solvias AG (CH) 2006-08-23 EP disclosed
WO-2005056568-A1 FERROCENYL-1, 2-DIPHOSPHINES, THE PRODUCTION THEREOF AND THEIR USE SOLVIAS AG (CH) 2005-06-23 WO disclosed
WO-2005056566-A2 METHOD FOR PRODUCING ORTHOMETALATED AND ORTHOSUBSTITUTED AROMATIC COMPOUNDS SOLVIAS AG (CH) 2005-06-23 WO disclosed