SCHEMBL7035683

SCHEMBL7035683

C=[Ti+2](C1C=Cc2ccccc21)C1c2ccccc2-c2ccccc21.C[O-].C[O-]

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
THPO P40225 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
Hydrochloric Acid SCHEMBL7109966 0.94 HTR6 (0.31) CYP2D6HTR2A
SCHEMBL7035253 0.87 HTR2A (0.34) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL7027384 0.80 HTR2A (0.33) GPR3KDM4ELMNATP53CHRM2
Hydrochloric Acid SCHEMBL2538854 0.79 HTR2A (0.36) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL7035032 0.79 GPR3 (0.41) GPR3LMNACHRM2CYP2D6CHRM1
SCHEMBL7032620 0.79 KDM4E (0.32) KDM4ELMNATP53CHRM2CYP3A4
SCHEMBL7633756 0.79
Hydrochloric Acid SCHEMBL713786 0.74 POLB (0.33) GPR3CYP2D6
Hydrochloric Acid SCHEMBL396459 0.74 HTR2A (0.33) GPR3KDM4ELMNATP53CHRM2
Hydrochloric Acid SCHEMBL6902433 0.71 CYP19A1 (0.39) GPR3CHRM2CYP2D6CHRM1SLC6A2

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0811628-B1 METHYLALUMINO-OXY COMPOUNDS AND CATALYSTS FOR THE PREPARATION O POLYMERS CONTAINING THE SAME IDEMITSU PETROCHEMICAL CO (JP) 2003-03-05 EP disclosed
EP-0742233-B1 METHOD OF CONTROLLING MOLECULAR WEIGHT OF STYRENIC POLYMER IDEMITSU KOSAN CO (JP) 2002-02-27 EP disclosed
US-6277934-B1 A SYNDIOTACTIC HOMO- OR COPOLYMER FROM A STYRENIC COMPOUND IN THE PRESENCE OF A METALLOCENE OF HIGH, STABLE ACTIVITY COMPRISING A TITANIUM COMPOUND AND AN ORGANIC ALUMINOXY COMPOUND OF SPECIFIC NUCLEAR MAGNETIC RESONANCE SPECTRUM IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-RE37064-E1 Process for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 2001-02-20 US disclosed
EP-0757064-B1 STYRENE POLYMER AND MOLDED ARTICLES IDEMITSU PETROCHEMICAL CO (JP) 2000-05-17 EP disclosed
EP-0988957-A1 Process for preparing a styrenic resin IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-03-29 EP disclosed
US-6034191-A Organic aluminoxy compound and catalyst for producing polymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2000-03-07 US disclosed
EP-0769504-B1 PROCESS FOR PRODUCING STYRENIC POLYMER IDEMITSU KOSAN CO (JP) 1999-11-24 EP disclosed
US-5917073-A Organic aluminoxy compound and catalyst for producing polymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1999-06-29 US disclosed
US-5905126-A Process and catalyst for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 1999-05-18 US disclosed
EP-0591841-A1 Process for producing styrenic polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-04-13 EP disclosed
US-5294685-A Process for producing a styrenic polymer having a high degree of syndiotacticity IDEMITSU KOSAN CO., LTD. (JP) 1994-03-15 US disclosed
EP-0566068-A2 Process for purification of styrenic polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-10-20 EP disclosed
EP-0543022-A1 PROCESS FOR PRODUCING STYRENIC POLYMER AND CATALYST THEREFOR IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-05-26 EP disclosed
EP-0535582-A1 Process for producing styrenic polymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1993-04-07 EP disclosed
EP-0505890-A2 Process for producing a styrenic polymer and a catalyst for use therein IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
EP-0505973-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
EP-0505972-A2 Process for producing styrenic copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
EP-0497207-A2 Process for purification of styrenic polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-08-05 EP disclosed
EP-0492282-A1 Process for producing a styrene polymer and a catalyst for use therein IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-01 EP disclosed