SCHEMBL5421024

SCHEMBL5421024

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)(Cl)=C[PH](C2CCCCC2)(C2CCCCC2)C2CCCCC2)c(C)c1

nearest known ligand 0.30

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL14994991 0.95
SCHEMBL2961477 0.80 ALDH1A1 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL30142129 0.74 ALDH1A1 (0.31) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL5471894 0.73 ALDH1A1 (0.30) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL16699727 0.73 BACE1 (0.30)
SCHEMBL133552 0.73 BACE1 (0.30)
SCHEMBL29649091 0.72
SCHEMBL1535723 0.72 BACE1 (0.31)
SCHEMBL727932 0.72
SCHEMBL1535719 0.71 MEN1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3087104-A1 METHOD FOR CONTROLLED METATHESIS DEPOLYMERIZATION OF NATURAL RUBBER FROM NATURAL RUBBER LATEX Compagnie Générale des Etablissements Michelin (FR) 2016-11-02 EP claimed
WO-2015097191-A1 METHOD FOR CONTROLLED METATHESIS DEPOLYMERIZATION OF NATURAL RUBBER FROM NATURAL RUBBER LATEX COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2015-07-02 WO claimed
EP-3087104-B1 METHOD FOR CONTROLLED METATHESIS DEPOLYMERIZATION OF NATURAL RUBBER FROM NATURAL RUBBER LATEX MICHELIN & CIE (FR) 2019-11-13 EP disclosed
US-20070049700-A1 Method for the degradation of nitrile rubber by metathesis in the presence of ruthenium- or osmium-based catalysts LANXESS DEUTSCHLAND GMBH (DE) 2007-03-01 US disclosed