SCHEMBL8206812

SCHEMBL8206812

CC1=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc2C1[Ti](C)(C)(=[SiH2])C1C(C)=Cc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM1A O60341 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
SCHEMBL8194136 0.80 HTR1A (0.36) HTR1AHTR7RXRARXRBKDM1A
SCHEMBL8204576 0.80 PDCD1 (0.33)
Hydrochloric Acid SCHEMBL397903 0.79 PDCD1 (0.32)
SCHEMBL8206244 0.78 HTR1A (0.36) HTR1AHTR7RXRARXRBKDM1A
SCHEMBL29032467 0.77 HTR1A (0.38) HTR1AHTR7RXRARXRBKDM1A
SCHEMBL5837617 0.77 HTR1A (0.38) HTR1AHTR7RXRARXRBMEN1
SCHEMBL7948081 0.76 HTR1A (0.39) HTR1AHTR7RXRARXRBKDM1A
Hydrochloric Acid SCHEMBL2539859 0.75 GSTP1 (0.36) CYP1A2POLBCYP2C9HPGDCYP2C19
SCHEMBL8202899 0.75 HTR1A (0.39) HTR1AHTR7RXRARXRBKDM1A
SCHEMBL8203930 0.75 HTR1A (0.39) HTR1AHTR7RXRARXRBKDM1A

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