SCHEMBL56720

SCHEMBL56720

CC(C)OCC(=O)O

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
Alcohol SCHEMBL4292742 0.92 FFAR3 (0.36)
Ether SCHEMBL11544644 0.88 GLA (0.34)
Heptane SCHEMBL1673978 0.86 PAM (0.52)
SCHEMBL2948579 0.83 TSHR (0.33)
SCHEMBL11713191 0.83 PAM (0.44)
SCHEMBL27729031 0.82 CYP1A2 (0.33)
SCHEMBL2951624 0.81 TSHR (0.32)
SCHEMBL2947805 0.81 TSHR (0.32)
SCHEMBL1513790 0.80
SCHEMBL766382 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115939519-A Electrolyte and battery containing same 蜂巢能源科技(无锡)有限公司 2023-04-07 CN claimed
CN-115911561-A Non-aqueous electrolyte of lithium ion battery and lithium ion battery 蜂巢能源科技(无锡)有限公司 2023-04-04 CN claimed
EP-3551633-B1 SUBSTITUTED PYRAZOLOAZEPIN-4-ONES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2021-03-31 EP claimed
US-6080876-A REACTING THIOANISOLE WITH AN ACYL CHLORIDE IN THE PRESENCE OF A LEWIS ACID AND A SOLVENT, SULFONATION, EPOXIDATION, ESTERIFICATION, DECYCLIZATION AND CYCLIZATION; FORMING A POTENT CYCLOOXYGENASE-2 INHIBITORS MERCK & CO., INC. (US) 2000-06-27 US claimed
EP-4720067-A1 BICYCLIC HETEROARYLAMIDES HAVING GPR68 MODULATING ACTIVITY Recursion Pharmaceuticals, Inc. (US) 2026-04-08 EP disclosed
US-20250388604-A1 Compounds and Their Use as PDE4 Activators MIRONID LIMITED (GB) 2025-12-25 US disclosed
EP-4655300-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING Epirium Bio Inc. (US) 2025-12-03 EP disclosed
EP-4655282-A1 3-(2-(DIMETHYLAMINO)ETHYL)-1H-INDOL-4-YL DERIVATIVES COMPASS Pathfinder Limited (GB) 2025-12-03 EP disclosed
EP-4648766-A1 PI3K INHIBITORS AND METHODS OF MAKING AND USING THE SAME Relay Therapeutics, Inc. (US) 2025-11-19 EP disclosed
US-20250313574-A1 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2025-10-09 US disclosed
US-20250281424-A1 SMALL MOLECULE ANTAGONISTS OF PF4 ZHOU YUHANG (US) 2025-09-11 US disclosed
US-20250257035-A1 1,4-Substituted Piperidine Derivatives CEPHALON LLC 2025-08-14 US disclosed
EP-0061835-A1 Triazole compounds, a process for preparing them, their use as plant fungicides and fungicidal compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-10-06 EP disclosed
US-4308397-A Preparation of alkyl alkoxyacetates CHEVRON RESEARCH (US) 1981-12-29 US disclosed
US-4223162-A Ether carboxylates containing three carboxylate groups MONSANTO COMPANY (US) 1980-09-16 US disclosed
US-4182900-A Ether dicarboxylates MONSANTO COMPANY (US) 1980-01-08 US disclosed
US-4107185-A FUNGICIDES, PLANT GROWTH REGULATORS MOBIL OIL CORPORATION (US) 1978-08-15 US disclosed
US-4099972-A DIFFUSION TRANSFER MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-11 US disclosed
US-4036629-A PLANT GROWTH REGULATORS, FUNGICIDES, HERBICIDES MOBIL OIL CORPORATION (US) 1977-07-19 US disclosed
US-4036984-A PHENOXYETHYL FATTY ACID ESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JA) 1977-07-19 US disclosed