SCHEMBL7677548

SCHEMBL7677548

C1=CCC(Cc2cccc3c2Cc2ccccc2-3)=C1.[Zr]

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
PGR P06401 2/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL7190352 0.99 PNMT (0.51) PNMTDRD2DRD4DRD3NPC1
SCHEMBL3994174 0.99 PNMT (0.54) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL5346821 0.96 PNMT (0.51) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL7642649 0.96 PNMT (0.51) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL5348858 0.96 PNMT (0.51) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL5347439 0.96 PNMT (0.51) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL9067828 0.86 PNMT (0.50) PNMTDRD2DRD4DRD3NPC1
SCHEMBL723323 0.86 PNMT (0.53) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL6557629 0.83 PNMT (0.50) PNMTDRD2DRD4DRD3NPC1
Hydrochloric Acid SCHEMBL6557725 0.81 PNMT (0.48) PNMTDRD2DRD4DRD3NPC1

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-6420579-B1 SILYL, GERMANIUM OR TIN RADICALS WITH TITANIUM, ZIRCONIUM, HAFNIUM, VANADIUM, NIOBIUM AND TANTALUM METALS PHILLIPS PETROLEUM COMPANY 2002-07-16 US disclosed
US-6162936-A Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 2000-12-19 US disclosed
US-5571880-A CATALYSTS FOR POLYMERIZATION OF OLEFINS ESPECIALLY TO OBTAIN SYNDIOTACTIC POLYMERS PHILLIPS PETROLEUM COMPANY (US) 1996-11-05 US disclosed
US-5436305-A Preparing polymer catalysts by reaction of alkali metal alkyl and fluorenyl in solvent PHILLIPS PETROLEUM COMPANY (US) 1995-07-25 US disclosed