SCHEMBL6535429

SCHEMBL6535429

C1=CC([Ti]C2C=Cc3ccccc32)c2ccccc21.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
HTR6 P50406 1/20 0.39
HTR2A P28223 2/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP2A6 P11509 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
KCNH2 Q12809 1/20 0.33
FFAR1 O14842 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
SCHEMBL1820089 0.87 HTR2A (0.40) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
Biphenyl SCHEMBL819251 0.83 ALDH1A1 (0.36) SIGMAR1HTR6HTR2AALDH1A1
Fluoromethane SCHEMBL8528917 0.81 HTR2A (0.36) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
SCHEMBL5405023 0.80 SIGMAR1 (0.33) SIGMAR1
SCHEMBL5393557 0.79 SIGMAR1 (0.30) SIGMAR1
SCHEMBL5195162 0.76 SIGMAR1 (0.40) SIGMAR1HTR6HTR2AMAOAMAOB
SCHEMBL5198827 0.76 SIGMAR1 (0.40) SIGMAR1HTR6HTR2AMAOAMAOB
SCHEMBL8779530 0.76 HTR2A (0.33) SIGMAR1HTR6HTR2AHSD17B10SMN1; SMN2
SCHEMBL5184904 0.76 SIGMAR1 (0.40) SIGMAR1HTR6HTR2AMAOAMAOB
SCHEMBL5182701 0.76 SIGMAR1 (0.40) SIGMAR1HTR6HTR2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246850-A4 PROCESS FOR MAKING POLYOLEFINS EQUISTAR CHEM LP (US) 2004-06-30 EP disclosed
WO-2003104290-A2 USE OF SILANES TO CONTROL MOLECULAR WEIGHT IN OLEFIN POLYMERIZATIONS EQUISTAR CHEMICALS, LP (US) 2003-12-18 WO disclosed
US-6630547-B1 A process which comprises polymerizing an olefin with a catalyst precursor in the presence of an activator and an organosilane modifier, excluding hydrosilane wherein the catalyst precursor contains at least one EQUISTAR CHEMICALS, LP 2003-10-07 US disclosed
US-6630548-B1 Static reduction EQUISTAR CHEMICALS, LP 2003-10-07 US disclosed
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-1246850-A1 PROCESS FOR MAKING POLYOLEFINS Equistar Chemicals L.P. (US) 2002-10-09 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
WO-2001021669-A1 PROCESS FOR MAKING POLYOLEFINS EQUISTAR CHEMICALS, L.P. (US) 2001-03-29 WO disclosed
US-6194527-B1 SINGLE-SITE CATALYST PRECURSOR WITH A BORON-CONTAINING ACTIVATOR AND A SCAVENGING ALUMOXANE IN SECOND STEP EQUISTAR CHEMICALS, L.P. 2001-02-27 US 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-5824753-A MULTISTAGE POLYMERIZATION TO PRODUCE SYNDIOTACTIC CONFIGURATION, HYDROGEN INTRODUCED IN ONE STAGE IDEMITSU KOSAN CO., LTD. (JP) 1998-10-20 US disclosed
US-5739227-A USING CATALYSTS COMPRISING TRANSITION METAL COMPOUND, ALUMOXANE OR COORDINATED COMPLEX, ALKYLATING AGENT, AND ORGANOMETALLIC COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 1998-04-14 US disclosed
EP-0811628-A1 ORGANIC ALUMINO-OXY COMPOUNDS AND CATALYSTS FOR THE PREPARATION O POLYMERS CONTAINING THE SAME IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1997-12-10 EP disclosed
EP-0769504-A1 PROCESS FOR PRODUCING STYRENIC POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-04-23 EP disclosed
EP-0742233-A1 METHOD OF CONTROLLING MOLECULAR WEIGHT OF STYRENIC POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-11-13 EP disclosed