SCHEMBL6910968

SCHEMBL6910968

CC=[Hf](Cl)(Cl)(C1c2ccccc2-c2ccccc21)C1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.39
SLC22A2 O15244 1/20 0.35
SLC22A3 O75751 1/20 0.35
HTR2A P28223 1/20 0.34
POLB P06746 2/20 0.33
ACHE P22303 2/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 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
SCHEMBL25166742 0.86 GPR3 (0.32) GPR3SLC22A2SLC22A3
SCHEMBL8408407 0.81
SCHEMBL7211558 0.72
SCHEMBL217237 0.71 BRD4 (0.31)
Hydrochloric Acid SCHEMBL7106228 0.71 GPR3 (0.39) GPR3SLC22A2SLC22A3HTR2APOLB
SCHEMBL6916550 0.71 GPR3 (0.39) GPR3SLC22A2SLC22A3HTR2APOLB
SCHEMBL25166935 0.69 GPR3 (0.34) GPR3HTR2APOLB
Hydrochloric Acid SCHEMBL7101662 0.68 ACHE (0.37) GPR3SLC22A2SLC22A3HTR2APOLB
SCHEMBL25166879 0.67 GPR3 (0.31) GPR3HTR2A
Hydrochloric Acid SCHEMBL7102554 0.66 ACHE (0.39) GPR3SLC22A2SLC22A3HTR2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed
EP-0927201-B1 CATALYST SYSTEM FOR (CO)POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PREPARATION OF OLEFIN (CO)POLYMERS USING THE CATALYST SYSTEM HYUNDAI PETROCHEMICAL CO LTD (KR) 2004-04-14 EP disclosed
EP-0927201-A1 CATALYST SYSTEM FOR (CO)POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PREPARATION OF OLEFIN (CO)POLYMERS USING THE CATALYST SYSTEM Hyundai Petrochemical Co., Ltd. (KR) 1999-07-07 EP disclosed
WO-1998009996-A1 CATALYST SYSTEM FOR (CO)POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PREPARATION OF OLEFIN (CO)POLYMERS USING THE CATALYST SYSTEM HYUNDAI PETROCHEMICAL CO., LTD. (KR) 1998-03-12 WO disclosed