SCHEMBL7949902

SCHEMBL7949902

CC[Zr](Oc1ccc(C)cc1C(C)(C)C)(Oc1ccc(C)cc1C(C)(C)C)(C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21)C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL7949906 0.88 PTGDR2 (0.32)
SCHEMBL7947222 0.87 MAOA (0.32) MAOAMAOB
SCHEMBL7949928 0.81
SCHEMBL7947223 0.77 MAOA (0.31) MAOAMAOB
SCHEMBL7949938 0.75 PTGDR2 (0.30)
SCHEMBL7949932 0.74
SCHEMBL7150484 0.70 CA12 (0.33) MAOAMAOB
Fluoride SCHEMBL7645016 0.69 CA12 (0.32) MAOAMAOB
Hydrochloric Acid SCHEMBL271719 0.69 CA12 (0.32) MAOAMAOB
Hydrochloric Acid SCHEMBL3398777 0.69

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262286-B1 REACTING AROMATIC TRANSITION METAL COMPLEXES WITH ALKALI OR ALKALI METAL CYCLOPENTADIENYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed