SCHEMBL7600618

SCHEMBL7600618

CC(C)=C1C=CC(C2c3ccccc3-c3ccccc32)=C1[Zr]C1=C(C2c3ccccc3-c3ccccc32)C=CC1=C(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TDO2 P48775 1/20 0.34
GPR3 P46089 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL8366223 0.79 POLB (0.35) POLBGPR3HTR2A
Bromide SCHEMBL7205884 0.77 HTR2A (0.35) POLBGPR3HTR2A
Hydrochloric Acid SCHEMBL3783189 0.77 HTR2A (0.35) POLBGPR3HTR2A
Hydrochloric Acid SCHEMBL7095854 0.77 POLB (0.34) POLBGPR3HTR2A
Hydrochloric Acid SCHEMBL7592112 0.77 POLB (0.34) POLBGPR3HTR2A
SCHEMBL7597354 0.74
Hydrochloric Acid SCHEMBL8927344 0.67 POLB (0.31) POLB
Hydrochloric Acid SCHEMBL8927357 0.67 HTR2A (0.32) POLBHTR2A
SCHEMBL27510570 0.67 POLB (0.36) POLBGPR3HTR2A
Hydrochloric Acid SCHEMBL8854555 0.67 HTR2A (0.36) GPR3HTR2A

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-0920465-B1 ELASTOMERIC CYCLOOLEFINPOLYMER TICONA GMBH (DE) 2002-11-06 EP claimed