SCHEMBL6655841

SCHEMBL6655841

CCC=C1C=CC(C2C=Cc3ccccc32)=C1[Zr]

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.33
HTR6 P50406 1/20 0.31
HTR2A P28223 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
SCHEMBL6652896 0.75 HTR2A (0.34) HTR2A
SCHEMBL6655274 0.74 HTR2A (0.32) HTR2A
SCHEMBL27740455 0.65 SIGMAR1 (0.38) SIGMAR1HTR6HTR2A
SCHEMBL7196783 0.65 HTR6 (0.31) HTR6HTR2A
Methylene Chloride SCHEMBL9165244 0.64 HTR6 (0.31) HTR6HTR2A
SCHEMBL1921550 0.64 SIGMAR1 (0.35) SIGMAR1HTR6HTR2A
SCHEMBL1539616 0.63 HTR6 (0.53) SIGMAR1HTR6HTR2A
SCHEMBL29554562 0.63 HTR6 (0.53) SIGMAR1HTR6HTR2A
SCHEMBL3383295 0.63 HTR2A (0.38) SIGMAR1HTR6HTR2A
SCHEMBL2961545 0.63 SIGMAR1 (0.39) SIGMAR1HTR6HTR2A

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 1 patent. 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