SCHEMBL6857385

SCHEMBL6857385

C[Zr](C)(C)C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.38
HTR2A P28223 2/20 0.38
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 2/20 0.34
CYP2D6 P10635 2/20 0.34
BRD4 O60885 1/20 0.34
CCL2 P13500 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
NFKB1 P19838 1/20 0.34
CHRM3 P20309 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL29480066 1.00 RET (0.38) RETHTR2AHTR6KDM4ECYP2D6
SCHEMBL29697103 0.87 HTR2A (0.38) RETHTR2AHTR6KDM4ECYP2D6
SCHEMBL3685967 0.87 HTR2A (0.38) RETHTR2AHTR6KDM4ECYP2D6
Hydrochloric Acid SCHEMBL30074160 0.85 HTR2A (0.37) RETHTR2AHTR6KDM4ECYP2D6
Hydrochloric Acid SCHEMBL4457343 0.85 KDM4E (0.40) RETHTR2AHTR6KDM4ECYP2D6
Ethylene SCHEMBL61250 0.83 HTR2A (0.36) RETHTR2AHTR6KDM4ECYP2D6
SCHEMBL18952179 0.83 RET (0.36) RETHTR2AHTR6KDM4ECYP2D6
SCHEMBL8409887 0.83 RET (0.36) RETHTR2AHTR6KDM4ECYP2D6
SCHEMBL7601167 0.82 RET (0.39) RETHTR2AHTR6KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7641689 0.82 RET (0.35) RETHTR2AHTR6KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787617-B1 FORMING NARROW MOLECULAR WEIGHT HOMOPOLYMERS AS INTERMEDIATES TO BLOCK OR TERMINAL FUNCTIONALIZED POLYMERS; HAFNIUM OR ZIRCONIUM CYCLOPENTADIENYL FUNCTIONALIZED CATALYSTS WITH TRIPHENYLBORON AND TRIALKYLALUMINUM COMPOUNDS JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2004-09-07 US disclosed
EP-1209171-A1 PROCESS FOR PRODUCING OLEFIN LIVING POLYMER JAPAN as Represented by DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-05-29 EP disclosed
US-5916982-A Process for the production of polyolefins NIPPON OIL CO., LTD. (JP) 1999-06-29 US disclosed
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed
EP-0768319-A1 Process for the production of polyolefins NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed