SCHEMBL6251445

SCHEMBL6251445

C[Ti](C)(C)C1C2=C(CCCC2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.37
PTGS2 P35354 1/20 0.37
HRH1 P35367 1/20 0.37
HTR3A P46098 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL28430118 0.82 ADRA2C (0.35) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL6251581 0.77 ADRA2C (0.36) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL2231523 0.77 ADRA2C (0.40) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL6249928 0.76 ADRA2C (0.36) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL2232629 0.74 ADRA2C (0.37) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL22879574 0.73 ADRA2C (0.40) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL9250186 0.73 ALDH1A1 (0.39) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL2234349 0.72 HTR2A (0.37) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL8160683 0.72 ADRA2C (0.40) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL2231794 0.72 ADRA2C (0.37) ADRA2CPTGS2HRH1HTR3APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433231-A Method for producing styrene resin and styrene resin molded body 出光兴产株式会社 2020-07-17 CN disclosed
CN-111417658-A Styrene resin, styrene resin composition, molded article thereof, and method for producing styrene resin 出光兴产株式会社 2020-07-14 CN disclosed
EP-0671416-B1 Transition metal compound, polymerization catalyst comprising the same and process for producing styrenic polymer using said polymerization catalyst IDEMITSU KOSAN CO (JP) 2005-08-31 EP disclosed
US-RE37064-E1 Process for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 2001-02-20 US disclosed
US-RE36563-E Transition metal compound, polymerization catalyst using same and process for producing styrenic polymer using said polymerization catalyst IDEMITSU KOSAN CO., LTD. (JP) 2000-02-08 US disclosed
EP-0675139-B1 Process for producing styrenic polymer IDEMITSU KOSAN CO (JP) 1998-10-14 EP disclosed
US-5756612-A COORDINATION CATALYST FOR STYRENE POLYMERIZATION WITH COMPOUNDS OF ALUMINUM, MAGNESIUM AND ZINC IDEMITSU KOSAN CO., LTD. (JP) 1998-05-26 US disclosed
US-5596055-A Process for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 1997-01-21 US disclosed
EP-0675139-A1 Process for producing styrenic polymer IDEMITSU KOSAN CO., LTD. (JP) 1995-10-04 EP disclosed
EP-0671416-A1 Transition metal compound, polymerization catalyst comprising the same and process for producing styrenic polymer using said polymerization catalyst IDEMITSU KOSAN COMPANY LIMITED (JP) 1995-09-13 EP disclosed