SCHEMBL9440641

SCHEMBL9440641

C1=CC([Hf](c2ccccc2)c2ccccc2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR6 P50406 1/20 0.35
SIGMAR1 Q99720 6/20 0.33

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
SCHEMBL5276105 0.87 HTR6 (0.33) HTR2AHTR6SIGMAR1
SCHEMBL3998874 0.75 HTR2A (0.38) HTR2AHTR6SIGMAR1
SCHEMBL8380999 0.75 HTR2A (0.38) HTR2AHTR6SIGMAR1
SCHEMBL5183518 0.75 HTR2A (0.38) HTR2AHTR6SIGMAR1
SCHEMBL4444694 0.75 HTR2A (0.38) HTR2AHTR6SIGMAR1
SCHEMBL7612938 0.75 HTR6 (0.41) HTR2AHTR6SIGMAR1
Hydrochloric Acid SCHEMBL4469522 0.73 HTR2A (0.36) HTR2AHTR6SIGMAR1
Hydrochloric Acid SCHEMBL7645798 0.73 HTR2A (0.36) HTR2AHTR6SIGMAR1
Hydrochloric Acid SCHEMBL817704 0.73 HTR2A (0.36) HTR2AHTR6SIGMAR1
Fluoride SCHEMBL6059223 0.73 HTR2A (0.36) HTR2AHTR6SIGMAR1

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
US-5336746-A Using a cycloalkadienylhafnium-alumoxane coordination catalyst and an alpha-olefin monomer; heat sealing agents having narrow molecular weight distribution yet low viscosity MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-08-09 US disclosed