SCHEMBL9816902

SCHEMBL9816902

[CH2]C[S+]([O-])CCCCCC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
THRB P10828 1/20 0.40
CES2 O00748 3/20 0.33
CES1 P23141 3/20 0.33
LSS P48449 1/20 0.32
DNM1 Q05193 5/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC22A1 O15245 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
SCHEMBL3653854 1.00 TSHR (0.40) TSHRTHRBCES2CES1LSS
SCHEMBL23001233 1.00 TSHR (0.40) TSHRTHRBCES2CES1LSS
SCHEMBL11765195 0.98 TSHR (0.38) TSHRTHRBCES2CES1LSS
SCHEMBL5668985 0.97
SCHEMBL296474 0.84 TSHR (0.50) TSHRTHRBCES2CES1DNM1
SCHEMBL4791112 0.84 TSHR (0.50) TSHRTHRBCES2CES1DNM1
SCHEMBL9818219 0.84 TSHR (0.50) TSHRTHRBCES2CES1DNM1
SCHEMBL3160216 0.84 TSHR (0.50) TSHRTHRBCES2CES1DNM1
SCHEMBL3025854 0.84 TSHR (0.50) TSHRTHRBCES2CES1DNM1
SCHEMBL14478066 0.84 TSHR (0.50) TSHRTHRBCES2CES1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0213944-B1 NOVEL CELLULOSE DERIVATIVE, PROCESS FOR PREPARING THE SAME AND SULFUR DIOXIDE GAS PERMSELECTIVE MEMBRANE COMPRISING THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 1991-10-23 EP disclosed
EP-0160508-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed
US-4760061-A Antioestrogenic agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-26 US disclosed
US-4694077-A A HYDROCARBYLSULFINYL ETHYL CELLULOSE BY REACTING A HYDROCARBYL VINYL SULFOXIDE AND A CELLULOSE; FILMS; CASTINGS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1987-09-15 US disclosed
EP-0213944-A2 Novel cellulose derivative, process for preparing the same and sulfur dioxide gas permselective membrane comprising the same Shin-Etsu Chemical Co., Ltd. (JP) 1987-03-11 EP disclosed
EP-0160508-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-06 EP disclosed