SCHEMBL5830474

SCHEMBL5830474

CCOC(=O)CCCS

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
SCHEMBL11305856 0.98 CYP1A2 (0.59)
SCHEMBL4180522 0.93 CYP1A2 (0.59)
SCHEMBL6221918 0.91 CYP1A2 (0.57)
SCHEMBL29132867 0.91 CYP1A2 (0.57)
SCHEMBL8987382 0.91 CYP1A2 (0.57)
SCHEMBL1593860 0.91 CYP1A2 (0.57)
SCHEMBL7075209 0.91 CYP1A2 (0.57)
SCHEMBL8987375 0.91 CYP1A2 (0.57)
SCHEMBL9457567 0.88 CYP1A2 (0.55)
SCHEMBL3516148 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115428932-B Pickled radish essence 重庆梅香园实业集团有限公司 2024-02-13 CN claimed
CN-115746466-A High-impact-resistance polystyrene composite material and preparation process thereof 江苏绿安擎峰新材料有限公司 2023-03-07 CN claimed
CN-115428932-A Pickled radish essence 重庆梅香园实业集团有限公司 2022-12-06 CN claimed
CN-1745148-A Optical data storage containing phthalocyanine Co with axial substituents and axial coordinating ligands in the optically writable information layer LANXESS DEUTSCHLAND GMBH (DE) 2006-03-08 CN claimed
CN-122011029-A Ternary condensed ring compound and application thereof in medicine 杭州百新生物医药科技有限公司 2026-05-12 CN disclosed
US-20250388615-A9 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2025-12-25 US disclosed
US-20250066410-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2025-02-27 US disclosed
US-12084472-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists ARDELYX, INC. (US) 2024-09-10 US disclosed
CN-114423742-B Benzotriazole-based compound, light absorber and resin composition 三井化学株式会社 2024-05-28 CN disclosed
CN-117447630-B Mercapto resin, and preparation method and application thereof 上海稀固科技有限公司 2024-03-26 CN disclosed
US-11912889-B2 Silicon-containing polymer, film-forming composition, method for forming silicon-containing polymer coating, method for forming silica coating, and production method for silicon-containing polymer TOKYO OHKA KOGYO CO., LTD. (JP) 2024-02-27 US disclosed
CN-115428932-B Pickled radish essence 重庆梅香园实业集团有限公司 2024-02-13 CN disclosed
US-4273725-A Process for preparing chlorothiolformates PPG INDUSTRIES, INC. (US) 1981-06-16 US disclosed
US-4268456-A FROM A MERCAPTAN AND PHOSGENE, QUATERNARY AMMONIUM SALT CATALYST PPG INDUSTRIES, INC. (US) 1981-05-19 US disclosed
US-4254017-A HEAT STABILIZER FOR POLYVINYL CHLORIDE M&T CHEMICALS INC. (US) 1981-03-03 US disclosed
US-4232167-A Preparation of alkyl mercaptocarboxylate/dialkyl thiodicarboxylate mixture using sulfur and/or water cocatalyst PHILLIPS PETROLEUM COMPANY (US) 1980-11-04 US disclosed
US-4224436-A MERCAPTAN-TERMINATED POLYETHER; THERMAL STABILITY PHILLIPS PETROLEUM COMPANY (US) 1980-09-23 US disclosed
EP-0011456-A1 Organotin compounds and resins or polymers stabilized therewith M & T CHEMICALS, INC. (US) 1980-05-28 EP disclosed
US-4180672-A 2-Organothio-2-cyclopentenones, organothio-cyclopentanes derived therefrom TEIJIN LIMITED (JP) 1979-12-25 US disclosed
US-4113707-A Poly(oxyalkylene)-polyester-poly(sulfide)-polythiol prepared by ester interchange PHILLIPS PETROLEUM COMPANY (US) 1978-09-12 US disclosed