SCHEMBL6652896

SCHEMBL6652896

CCC=C1C=CC(C2c3ccccc3-c3ccccc32)=C1[Zr]

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GPR3 P46089 1/20 0.31
NOS2 P35228 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
SCHEMBL6655841 0.75 SIGMAR1 (0.33) HTR2A
SCHEMBL6659162 0.71 HTR2A (0.36) HTR2AGPR3
Hydrochloric Acid SCHEMBL7592112 0.70 POLB (0.34) HTR2AGPR3
Hydrochloric Acid SCHEMBL8390027 0.65 HTR2A (0.34) HTR2A
SCHEMBL7157162 0.64 GPR3 (0.34) HTR2ABCHEACHEGPR3
SCHEMBL633764 0.61 HTR2A (0.58) HTR2AALDH1A1BCHEACHEGPR3
Lithium SCHEMBL8587291 0.59 HTR2A (0.56) HTR2AALDH1A1BCHEACHEGPR3
Potassium SCHEMBL8586916 0.59 HTR2A (0.56) HTR2AALDH1A1BCHEACHEGPR3
SCHEMBL8587288 0.59 HTR2A (0.56) HTR2AALDH1A1BCHEACHEGPR3
SCHEMBL8586913 0.59 HTR2A (0.56) HTR2AALDH1A1BCHEACHEGPR3

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
EP-1257587-B1 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS DOW GLOBAL TECHNOLOGIES INC (US) 2004-06-23 EP claimed
EP-0775148-B2 BISCYCLOPENTADIENYL DIENE COMPLEXES DOW CHEMICAL CO (US) 2003-01-02 EP disclosed
EP-1257587-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2002-11-20 EP disclosed
WO-2001004164-A2 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS THE DOW CHEMICAL COMPANY (US) 2001-01-18 WO disclosed