SCHEMBL8204575

SCHEMBL8204575

CC1=Cc2c(-c3ccccc3)cccc2C1[Ti](C1C(C)=Cc2c(-c3ccccc3)cccc21)[SiH](C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 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
SCHEMBL4060093 0.82 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4
SCHEMBL6565700 0.82 PDCD1 (0.33) PDCD1CD274CHRNB2CHRNA4
SCHEMBL8204850 0.82 ENPP3 (0.33)
SCHEMBL906655 0.81
SCHEMBL8206809 0.80 HTR1A (0.36)
SCHEMBL8203380 0.79 PDCD1 (0.35) PDCD1CD274CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7639321 0.78 PDCD1 (0.31) PDCD1CD274CHRNB2CHRNA4
SCHEMBL7009427 0.77 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4
SCHEMBL27494089 0.77 PDCD1 (0.34) PDCD1CD274CHRNB2CHRNA4
SCHEMBL30027707 0.77 PDCD1 (0.32) PDCD1CD274CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1062219-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-12-27 EP claimed
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US claimed
WO-1999046270-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1999-09-16 WO claimed
EP-1062219-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 2000-12-27 EP disclosed
US-6136993-A CONTACTING IN GROUP 4 METAL COMPLEX OR ITS LEWIS BASE ADDUCT WITH METAL COMPLEX, RECOVERING RESULTING PRODUCT THE DOW CHEMICAL COMPANY (US) 2000-10-24 US disclosed
US-6084115-A METAL DIENE-CONTAINING COMPLEXES BY REACTION WITH THE DIVALENT DERIVATIVE OF A BRIDGED BIDENTATE LIGAND; METALLOCENES; RACEMIC ISOMER USED TO PREPARE ISOTACTIC POLYOLEFINS, E.G., CRYSTALLINE POLYPROPYLENE. THE DOW CHEMICAL COMPANY (US) 2000-07-04 US disclosed
WO-1999046270-A1 INTEGRATED PROCESS FOR PREPARATION OF DIENE COMPLEXES THE DOW CHEMICAL COMPANY (US) 1999-09-16 WO disclosed