SCHEMBL9073633

SCHEMBL9073633

CCCCC1=C(CCCC)C([Ti](Cl)(Cl)(=C(C)C)C2C(CCCC)=C(CCCC)c3ccccc32)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9069614 0.81 BCHE (0.34) BCHEACHETDP1
SCHEMBL9070205 0.78 BCHE (0.32) BCHEACHE
SCHEMBL6911536 0.74 POLB (0.41) BCHEACHE
SCHEMBL9073547 0.73 BCHE (0.34) BCHEACHETDP1
SCHEMBL626668 0.72 BCHE (0.40) BCHEACHETDP1
SCHEMBL9070211 0.71 BCHE (0.37) BCHEACHETDP1
SCHEMBL6909745 0.71 BCHE (0.35) BCHEACHE
SCHEMBL6907124 0.71 CYP3A4 (0.34) TDP1
SCHEMBL29137599 0.71 BCHE (0.39) BCHEACHE
SCHEMBL9073078 0.70 BCHE (0.38) BCHEACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702687-A1 METALLOCENE COMPOUNDS AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 1996-03-27 EP disclosed
WO-1995027717-A1 METALLOCENE COMPOUNDS AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY BV (NL) 1995-10-19 WO disclosed