SCHEMBL6909745

SCHEMBL6909745

CCCCC1=CC([Ti](Cl)(Cl)(=C(C)C)C2C=C(CCCC)c3ccccc32)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
HTR6 P50406 3/20 0.32
PTPN1 P18031 1/20 0.32
CNR1 P21554 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
SCHEMBL6908254 0.85 HTR6 (0.35) BCHEACHEHTR6CNR1
SCHEMBL6907088 0.83 BCHE (0.36) BCHEACHEHTR6PTPN1CNR1
SCHEMBL6907107 0.74 POLB (0.33)
SCHEMBL8159433 0.72 BCHE (0.35) BCHEACHEHTR6PTPN1CNR1
SCHEMBL9073633 0.71 BCHE (0.34) BCHEACHE
SCHEMBL3678038 0.71 BCHE (0.38) BCHEACHEHTR6PTPN1CNR1
Hydrochloric Acid SCHEMBL6909737 0.70 BCHE (0.36) BCHEACHEHTR6PTPN1CNR1
Hydrochloric Acid SCHEMBL3678035 0.70 ACHE (0.40) BCHEACHEHTR6PTPN1CNR1
SCHEMBL9959356 0.70 PTPN1 (0.43) BCHEACHEHTR6PTPN1CNR1
SCHEMBL8161472 0.70 BCHE (0.37) BCHEACHEHTR6PTPN1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed