SCHEMBL7048432

SCHEMBL7048432

CC1=Cc2c(C(C)C)cccc2C1[Zr](C)(=[SiH2])(c1ccccc1)C1C(C)=Cc2c(C(C)C)cccc21

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
Hydrochloric Acid SCHEMBL389318 0.99 ALDH1A1 (0.30) ALDH1A1ALOX15TSHR
Hydrochloric Acid SCHEMBL3734812 0.86 ALDH1A1 (0.31) ALDH1A1ALOX15TSHR
SCHEMBL7043553 0.86
Hydrochloric Acid SCHEMBL388201 0.85
SCHEMBL5788444 0.84 GABRA1 (0.32) TSHR
Fluoride SCHEMBL7640642 0.83 FAAH (0.32) TSHR
Hydrochloric Acid SCHEMBL271816 0.83 FAAH (0.32) TSHR
Hydrochloric Acid SCHEMBL442147 0.82
SCHEMBL7050090 0.80 PDCD1 (0.30)
Hydrochloric Acid SCHEMBL4061877 0.78

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-1058694-B1 Catalyst system, method for its production and its use for the polymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2003-04-09 EP claimed
US-6482902-B1 Catalyst system TARGOR GMBH (DE) 2002-11-19 US disclosed