SCHEMBL6890194

SCHEMBL6890194

CC1=Cc2cc(CC(C)C)ccc2C1[Zr](C)(C)(C)(C)(=[SiH2])C1C(C)=Cc2cc(CC(C)C)ccc21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL5351503 0.86 KDM1A (0.30) GABRA1GABRB2
SCHEMBL27550028 0.77 GABRA1 (0.38) GABRA1GABRB2
SCHEMBL27464415 0.77 GABRA1 (0.38) GABRA1GABRB2
Hydrochloric Acid SCHEMBL7604053 0.76 GABRA1 (0.37) GABRA1GABRB2
Hydrochloric Acid SCHEMBL7597788 0.76 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL7048990 0.75 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL7037401 0.75 GABRA1 (0.36) GABRA1GABRB2
Hydrochloric Acid SCHEMBL7165176 0.75 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL7807233 0.75 GABRA1 (0.36) GABRA1GABRB2
Hydrochloric Acid SCHEMBL29612274 0.75 GABRA1 (0.36) GABRA1GABRB2

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
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
US-6271164-B1 METALLOCENE CATALYST LYONDELL CHEMICAL TECHNOLOGY, L.P. 2001-08-07 US disclosed
US-6177526-B1 METALLOCENE; COCATALYST; MODIFIED OXIDE CONTAINS ORGANIC SILICON RADICALS CONTAINING AT LEAST ONE OF THE GROUPS NITROGEN, FLUORINE, PHOSPHORUS OR SULFUR. TARGOR GMBH (DE) 2001-01-23 US disclosed