SCHEMBL6893906

SCHEMBL6893906

CCc1cc(C2=Cc3ccccc3C2[Zr](C)(C)(C)(=[SiH2])(c2ccccc2)C2C(c3cc(CC)cc4ccc5ccccc5c34)=Cc3ccccc32)c2c(ccc3ccccc32)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 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
SCHEMBL6895643 0.90 CYP1A2 (0.38) CYP1A2CYP2A6
SCHEMBL6890204 0.87
Hydrochloric Acid SCHEMBL7807249 0.78 CYP1A2 (0.34) CYP1A2CYP2A6
SCHEMBL7800538 0.77 CYP1A2 (0.33) CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL6887208 0.76 CYP1A2 (0.31) CYP1A2CYP2A6
SCHEMBL6887187 0.76 CYP1A2 (0.31) CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL6894872 0.75
SCHEMBL7603409 0.69
Hydrochloric Acid SCHEMBL3275854 0.69
Hydrochloric Acid SCHEMBL8169170 0.68 PSMB5 (0.32)

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
US-6759500-B1 PRODUCING FIBERS, FILMS AND MOLDINGS, IN PARTICULAR FOR PRODUCING TUBES HAVING A HIGH CREEP RUPTURE STRENGTH UNDER INTERNAL PRESSURE BASELL POLYOLEFINE GMBH (DE) 2004-07-06 US disclosed
US-6506856-B2 Preparing polymers based on monomers having a C-C double and/or C-C triple bond by polymerization of these monomers in the presence of catalyst system comprising as active constituents a compound of an early transition metal BASF AKTIENGESELLSCHAFT (DE) 2003-01-14 US disclosed