SCHEMBL9718843

SCHEMBL9718843

C=CCCCCCCCCC(CC)CCC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 2/20 0.33
ABCC4 O15439 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
SCHEMBL25185269 1.00 TSHR (0.54) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL25178032 1.00 TSHR (0.54) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL25181809 1.00 TSHR (0.54) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL25178103 0.98 TSHR (0.50) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL25178111 0.92 TSHR (0.67) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL9718888 0.92 TSHR (0.67) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL1906148 0.92 TSHR (0.60) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL25171269 0.92 TSHR (0.60) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL25181823 0.92 TSHR (0.60) TSHRALDH1A1CYP3A4MAPTUSP2
SCHEMBL1906318 0.92 TSHR (0.67) TSHRALDH1A1CYP3A4MAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201905-A Cationic lipid 武田药品工业株式会社 2024-06-14 CN disclosed
WO-2023085299-A1 CATIONIC LIPID 武田薬品工業株式会社 2023-05-19 WO disclosed
CN-115515774-A Shaped object and method for producing same 大塚化学株式会社 2022-12-23 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