SCHEMBL8465425

SCHEMBL8465425

CC1=Cc2c(-c3ccc(C(F)(F)F)cc3)cccc2C1[Ti](Cl)(Cl)(C1C(C)=Cc2c(-c3ccc(C(F)(F)F)cc3)cccc21)=[Si](C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.33
DRD2 P14416 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
JAK2 O60674 1/20 0.30
KIF11 P52732 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
SCHEMBL397902 0.85 PDCD1 (0.30)
SCHEMBL8462057 0.83 ENPP1 (0.33) ENPP1DRD2CYP11B1CYP11B2JAK2
SCHEMBL6056167 0.80
Chloromethane SCHEMBL8465733 0.80 ENPP1 (0.32) ENPP1DRD2CYP11B1CYP11B2JAK2
SCHEMBL5612597 0.80
SCHEMBL2539857 0.79 GSTP1 (0.34)
SCHEMBL8465335 0.79 ENPP1 (0.33) ENPP1DRD2JAK2KIF11
SCHEMBL2524021 0.78 ENPP1 (0.36) ENPP1DRD2CYP11B1CYP11B2JAK2
SCHEMBL4556848 0.78 KIF11 (0.33) ENPP1DRD2CYP11B1CYP11B2JAK2
SCHEMBL5612498 0.77 CA12 (0.32) ENPP1

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
US-5859272-A METALLOCENES; PRODUCES POLYOLEFINS HAVING A HIGH MELTING POINT AND A HIGH MOLECULAR WEIGHT; HIGH POLYMERIZATION ACTIVITY MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1999-01-12 US disclosed
US-5616663-A TRANSITION METAL COMPOUND, ALUMINOXANE, COMPOUND WHICH REACTS WITH TRANSITION METAL COMPOUND TO FORM ION PAIR MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed