SCHEMBL7809459

SCHEMBL7809459

CC1=Cc2c(cccc2C(C)(C)C)C1[Zr](C)C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL7602465 0.85 GABRA1 (0.33) CA2GABRA1GABRB2
SCHEMBL7046923 0.83 GABRA1 (0.32) CA2GABRA1GABRB2
SCHEMBL7805721 0.79 CYP1A2 (0.30)
SCHEMBL29287780 0.76 CYP3A4 (0.33)
SCHEMBL30108371 0.76 CA2 (0.36) CA2GABRA1GABRB2
Hydrochloric Acid SCHEMBL28408729 0.75 CA2 (0.35) CA2GABRA1GABRB2
Hydrochloric Acid SCHEMBL7602464 0.75 CA2 (0.35) CA2GABRA1GABRB2
SCHEMBL5352529 0.74 GABRA1 (0.33) CA2GABRA1GABRB2
SCHEMBL7808030 0.73 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL7805739 0.73 GABRA1 (0.34) CA2GABRA1GABRB2

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
CN-1498231-A Propylene polymer for films ����ɭ���ڻ�ѧר����˾ 2004-05-19 CN disclosed
US-20010007009-A1 Transition metal catalyzed polymerization of olefinic monomers in a water-containing polymerization medium BASF AKTIENGESELLSCHAFT (DE) 2001-07-05 US disclosed