SCHEMBL5600883

SCHEMBL5600883

Cl[Zr](Cl)C1(n2cccc2)C=Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
OXTR P30559 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL27455382 0.69 OXTR (0.31) OXTR
SCHEMBL5603568 0.69
Hydrochloric Acid SCHEMBL5600891 0.68 OXTR (0.30) OXTR
Hydrochloric Acid SCHEMBL5600872 0.68 OXTR (0.30) OXTR
SCHEMBL812516 0.67 OXTR (0.31) OXTR
Hydrochloric Acid SCHEMBL5603574 0.67 OXTR (0.35) HSD11B1OXTR
Hydrochloric Acid SCHEMBL5603553 0.67
SCHEMBL8984690 0.62 CACNB4 (0.35) HSD11B1OXTRSIGMAR1
SCHEMBL29842453 0.61 GAA (0.36) HSD11B1OXTR
SCHEMBL2287265 0.61 GAA (0.36) HSD11B1OXTR

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-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed