SCHEMBL9718836

SCHEMBL9718836

C=CCCC(CCC)CCC

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 1/20 0.46
PLA2G2C Q5R387 1/20 0.31

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
SCHEMBL25178838 0.91 TSHR (0.50) TSHRALDH1A1PLA2G2C
SCHEMBL11154934 0.90 TSHR (0.46) TSHRALDH1A1
SCHEMBL2045989 0.89 TSHR (0.50) TSHRALDH1A1PLA2G2C
SCHEMBL18432768 0.89 TSHR (0.40) TSHRALDH1A1
SCHEMBL25172373 0.87 TSHR (0.54) TSHRALDH1A1PLA2G2C
SCHEMBL25178873 0.87 TSHR (0.54) TSHRALDH1A1PLA2G2C
SCHEMBL25181782 0.87 TSHR (0.54) TSHRALDH1A1PLA2G2C
SCHEMBL13767446 0.85 LMNA (0.43) TSHRALDH1A1PLA2G2C
SCHEMBL3117911 0.85 TSHR (0.42) TSHRALDH1A1
SCHEMBL241277 0.85 TSHR (0.39) TSHRALDH1A1

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
WO-2023085299-A1 CATIONIC LIPID 武田薬品工業株式会社 2023-05-19 WO disclosed
EP-3199533-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2017-08-02 EP disclosed
CN-1190417-C Prostaglandin Derivatives TAISHO PHARACEUTICAL CO LTD (JP) 2005-02-23 CN disclosed
CN-1390199-A Prostaglandin derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2003-01-08 CN disclosed
US-5087793-A Isomerizing alpha-olefins over mordenite catalyst MITSUBISHI KASEI CORPORATION (JP) 1992-02-11 US disclosed
EP-0396763-A1 PROCESS FOR PRODUCING INTERNAL OLEFIN MITSUBISHI KASEI POLYTEC COMPANY (JP) 1990-11-14 EP disclosed