SCHEMBL6911536

SCHEMBL6911536

CC(C)=[Ti](Cl)(Cl)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
GPR3 P46089 2/20 0.39
SLC22A2 O15244 1/20 0.35
SLC22A3 O75751 1/20 0.35
HTR2A P28223 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
KMT2A Q03164 4/20 0.34
ACHE P22303 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 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
SCHEMBL6909246 0.83 POLB (0.33) POLB
SCHEMBL6905916 0.76 MAPT (0.34) POLBGPR3SLC22A2SLC22A3HTR2A
SCHEMBL9073633 0.74 BCHE (0.34) ACHEBCHE
SCHEMBL6907107 0.72 POLB (0.33) POLB
SCHEMBL820472 0.71 PDCD1 (0.33) HTR1A
SCHEMBL6902436 0.71 GPR3 (0.38) POLBGPR3SLC22A2SLC22A3HTR2A
Hydrochloric Acid SCHEMBL7106685 0.71 GPR3 (0.39) POLBGPR3SLC22A2SLC22A3HTR2A
SCHEMBL8090631 0.70 POLB (0.32) POLB
SCHEMBL714588 0.69
Hydrochloric Acid SCHEMBL7109762 0.67 ACHE (0.36) POLBGPR3SLC22A2SLC22A3HTR2A

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