SCHEMBL399646

SCHEMBL399646

CC(C)CNCC(C)C.[HH]

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL64203 0.96
SCHEMBL29138534 0.92 ADH1B (0.47)
Fluoride SCHEMBL1055864 0.92 ADH1B (0.47)
SCHEMBL27352567 0.92 ADH1B (0.47)
Hydrochloric Acid SCHEMBL1062697 0.92 ADH1B (0.47)
Water SCHEMBL11344239 0.92 ADH1B (0.47)
Methane SCHEMBL9112529 0.92 ADH1B (0.47)
Ammonia Solution, Strong SCHEMBL12490708 0.92 ADH1B (0.47)
Lithium SCHEMBL30576662 0.92 ADH1B (0.47)
SCHEMBL28176457 0.92 ADH1B (0.47)

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 178 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022059820-A1 PRODUCTION METHOD FOR ISOCYANATE COMPOUND COMPRISING NON-CHLORINATED DERIVATIVE, AND COMPOSITION OF SAME 케이에스랩(주) 2022-03-24 WO claimed
US-20100137577-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FUTURE MEDICINE CO., LTD. (KR) 2010-06-03 US claimed
EP-2142549-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FM Therapeutics Co., Ltd. (KR) 2010-01-13 EP claimed
WO-2008108508-A1 ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT FM THERAPEUTICS CO., LTD. (KR) 2008-09-12 WO claimed
EP-0780369-B1 1-Phenyl-2-dimethylaminomethyl-cyclohexan-1-ol derivatives as pharmaceutical agents GRUENENTHAL GMBH (DE) 2000-01-19 EP claimed
EP-0059094-B1 NOVEL CYCLOHEPTANES ORTHO PHARMACEUTICAL CORPORATION (US) 1985-07-31 EP claimed
US-12534458-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME LLC (US) 2026-01-27 US disclosed
US-12331022-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME LLC (US) 2025-06-17 US disclosed
CN-112119076-B Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors 默沙东有限责任公司 2025-01-10 CN disclosed
EP-3788043-B1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
US-12083140-B2 Pharmaceutical composition for preventing and treating glaucoma, containing adenosine derivative FUTURE MEDICINE CO., LTD. (KR) 2024-09-10 US disclosed
EP-4423069-A1 INHIBITORS OF HIF-2ALPHA AND METHODS OF USE THEREOF Arcus Biosciences, Inc. (US) 2024-09-04 EP disclosed
US-12071411-B2 Inhibitors of HIF-2α and methods of use thereof ARCUS BIOSCIENCES, INC. (US) 2024-08-27 US disclosed
CN-1085941-A The liquid washing agent that contains peptide trifluoromethyl ketone PROCTER & GAMBLE (US) 1994-04-27 CN disclosed
US-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed
EP-0395093-A1 Triphenylmethane derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-31 EP disclosed
EP-0146837-B1 CYCLOHEXENONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS HERBICIDAL COMPOUNDS BASF Aktiengesellschaft (DE) 1988-03-23 EP disclosed
US-4659367-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
EP-0146837-A2 Cyclohexenone derivatives, process for their preparation and their application as herbicidal compounds BASF Aktiengesellschaft (DE) 1985-07-03 EP disclosed
US-4140854-A ANTISECRETORY, ANTIULCER STERLING DRUG INC. (US) 1979-02-20 US disclosed