SCHEMBL7032645

SCHEMBL7032645

C1=CC([Ti+2]C2C=Cc3ccccc32)c2ccccc21.C[O-].C[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.36
HTR6 P50406 1/20 0.36
SIGMAR1 Q99720 6/20 0.33
KDM4E B2RXH2 2/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33

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
Bromide SCHEMBL5368508 0.91 HTR2A (0.43) HTR2AHTR6SIGMAR1KDM4EBRD4
Hydrochloric Acid SCHEMBL395682 0.91 HTR2A (0.39) HTR2AHTR6SIGMAR1KDM4EBRD4
Bromide SCHEMBL31427621 0.91 HTR2A (0.43) HTR2AHTR6SIGMAR1KDM4EBRD4
SCHEMBL4576586 0.91 HTR2A (0.39) HTR2AHTR6SIGMAR1KDM4EBRD4
Fluoride Ion SCHEMBL7637223 0.91 HTR2A (0.39) HTR2AHTR6SIGMAR1KDM4EBRD4
Hydrochloric Acid SCHEMBL29574289 0.91 HTR2A (0.39) HTR2AHTR6SIGMAR1KDM4EBRD4
Hydrochloric Acid SCHEMBL3670932 0.89 HTR2A (0.38) HTR2AHTR6SIGMAR1KDM4EBRD4
Ethylene SCHEMBL4978169 0.88 HTR2A (0.36) HTR2AHTR6SIGMAR1KDM4EBRD4
Phenol SCHEMBL7826917 0.86 HTR6 (0.37) HTR2AHTR6SIGMAR1
Hydrochloric Acid SCHEMBL7644480 0.82 HTR6 (0.33) HTR2AHTR6SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0795564-B1 Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein SHELL INT RESEARCH (NL) 2001-01-10 EP claimed
US-5925717-A SELECTIVE HYDROGENATION OF POLYMERS WITH TITANIUM CATALYSTS WITH INDENE COMPOUND LIGANDS SHELL OIL COMPANY (US) 1999-07-20 US claimed
EP-0795564-A1 Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-09-17 EP claimed
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
EP-0554574-B1 Process for producing a styrenic polymer and a catalyst for use therein IDEMITSU KOSAN CO (JP) 2001-03-07 EP disclosed
US-RE37064-E1 Process for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 2001-02-20 US disclosed
EP-0795564-B1 Process for hydrogenation of conjugated diene polymers and catalyst compositions suitable for use therein SHELL INT RESEARCH (NL) 2001-01-10 EP disclosed
US-6100352-A USING A CATALYST CONSISTING OF A TRANSITION METAL COMPOUND, A COMPOUND CAPABLE OF FORMING AN IONIC COMPOUND BY REACTING WITH THE TRANSITION METAL COMPOUND OR AN OXYGEN-CONTAINING COMPOUND SUCH AS ALUMINOXANE IDEMITSU KOSAN CO., LTD. (JP) 2000-08-08 US disclosed
EP-0757064-B1 STYRENE POLYMER AND MOLDED ARTICLES IDEMITSU PETROCHEMICAL CO (JP) 2000-05-17 EP disclosed
EP-0566068-A2 Process for purification of styrenic polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-10-20 EP disclosed
EP-0554574-A1 Process for producing a styrenic polymer and a catalyst for use therein IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-08-11 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