SCHEMBL21049518

SCHEMBL21049518

CN1CCN(CC2COCCC[Si](Cl)(Cl)O2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
HRH4 Q9H3N8 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
GAA P10253 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
SCHEMBL28721506 0.84 ACHE (0.38) HRH3GAA
SCHEMBL303012 0.84 HTR2A (0.33) HRH3HRH4HTR2AHTR2CHRH1
SCHEMBL301474 0.82 HTR2A (0.37) HRH3HRH4HTR2AHTR2CHRH1
SCHEMBL302988 0.81 HTR2A (0.32) HRH3HRH4HTR2AHTR2CHRH1
SCHEMBL301451 0.81 HRH3 (0.34) HRH3HRH4HTR2AHTR2CHRH1
SCHEMBL301637 0.80 HTR2A (0.31) HTR2AHTR2CHRH1GAA
SCHEMBL301481 0.80 HRH3 (0.33) HRH3HTR2AHTR2CHRH1GAA
SCHEMBL301734 0.78 HRH3 (0.30) HRH3HTR2AHTR2CHRH1
SCHEMBL302108 0.78 HRH3 (0.32) HRH3HTR2AHTR2CHRH1
SCHEMBL321029 0.77 HTR2A (0.32) HTR2AHTR2CHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505557-B1 RUBBER CROSSLINKED PRODUCT ZEON CORP (JP) 2024-05-01 EP disclosed
EP-3495394-B1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING POLYMER COMPOSITION SUMITOMO CHEMICAL CO (JP) 2023-04-12 EP disclosed
CN-109563276-B Crosslinked rubber 日本瑞翁株式会社 2021-12-07 CN disclosed
US-11046791-B2 Method for producing modified conjugated diene polymer and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-29 US disclosed
US-10968335-B2 Rubber crosslinked product ZEON CORPORATION (JP) 2021-04-06 US disclosed
US-20200216578-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-07-09 US disclosed
US-20190330454-A1 RUBBER CROSSLINKED PRODUCT ZEON CORPORATION (JP) 2019-10-31 US disclosed
WO-2019163773-A1 CROSSLINKED RUBBER 日本ゼオン株式会社 2019-08-29 WO disclosed
WO-2019163772-A1 CROSSLINKED RUBBER 日本ゼオン株式会社 2019-08-29 WO disclosed
EP-3505557-A1 RUBBER CROSSLINKED PRODUCT Zeon Corporation (JP) 2019-07-03 EP disclosed
EP-3495394-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING POLYMER COMPOSITION Sumitomo Chemical Company, Limited (JP) 2019-06-12 EP disclosed