SCHEMBL18074752

SCHEMBL18074752

CC1(C)CCCC(C)(C)N1.[LiH].[MgH2]

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL1350259 0.97
SCHEMBL232280 0.97 ALDH1A1 (0.32) ALDH1A1
SCHEMBL28714458 0.97 ALDH1A1 (0.32) ALDH1A1
SCHEMBL2685144 0.97 ALDH1A1 (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL19100530 0.94
Hydrochloric Acid SCHEMBL23748065 0.93 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL17215574 0.93 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8303206 0.93 ALDH1A1 (0.33) ALDH1A1
SCHEMBL15100 0.93 ALDH1A1 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL21586132 0.90

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-109232385-B Preparation method of magnesium dichloride (2,2,6, 6-tetramethylpiperidine) lithium salt 阜新孚隆宝医药科技有限公司 2022-02-08 CN claimed
CN-109232385-A A kind of preparation method of magnesium dichloride (2,2,6,6- tetramethyl piperidine) lithium salts 阜新孚隆宝医药科技有限公司 2019-01-18 CN claimed
CN-109232385-B Preparation method of magnesium dichloride (2,2,6, 6-tetramethylpiperidine) lithium salt 阜新孚隆宝医药科技有限公司 2022-02-08 CN disclosed
CN-109232385-B Preparation method of magnesium dichloride (2,2,6, 6-tetramethylpiperidine) lithium salt 阜新孚隆宝医药科技有限公司 2022-02-08 CN disclosed
CN-113508118-A Fused tricyclic compounds useful as anticancer agents 阿斯利康(瑞典)有限公司 2021-10-15 CN disclosed
CN-109232385-A A kind of preparation method of magnesium dichloride (2,2,6,6- tetramethyl piperidine) lithium salts 阜新孚隆宝医药科技有限公司 2019-01-18 CN disclosed
CN-109232385-A A kind of preparation method of magnesium dichloride (2,2,6,6- tetramethyl piperidine) lithium salts 阜新孚隆宝医药科技有限公司 2019-01-18 CN disclosed
CN-107635992-A Tricyclic heterocyclic compounds useful as TNF inhibitors 百时美施贵宝公司 2018-01-26 CN disclosed
EP-3271361-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF Bristol-Myers Squibb Company (US) 2018-01-24 EP disclosed
WO-2016149437-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TNF BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-22 WO disclosed