SCHEMBL1270028

SCHEMBL1270028

C=CC(C)(C)OC(C)=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
SCHEMBL9135002 0.83 GAA (0.44)
SCHEMBL10340440 0.81 ALDH1A1 (0.32)
SCHEMBL9541426 0.81
SCHEMBL4672440 0.80 ALDH1A1 (0.33)
SCHEMBL2701473 0.80 EPHX1 (0.36)
SCHEMBL4672667 0.79
SCHEMBL5606283 0.79 GAA (0.41)
SCHEMBL9541420 0.79
SCHEMBL1345876 0.78 ALDH1A1 (0.42)
SCHEMBL867503 0.77 HCAR2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751820-B2 Purification of isoprene from renewable resources DANISCO US INC. (US) 2017-09-05 US claimed
US-20150274615-A1 PURIFICATION OF ISOPRENE FROM RENEWABLE RESOURCES THE GOODYEAR TIRE & RUBBER COMPANY 2015-10-01 US claimed
CN-102884028-B Purification of isoprene from renewable resources DANISCO US INC. (US) 2015-08-19 CN claimed
CN-102884028-A Purification of isoprene from renewable resources DANISCO US INC 2013-01-16 CN claimed
US-20110178261-A1 Purification of Isoprene From Renewable Resources THE GOODYEAR TIRE & RUBBER COMPANY 2011-07-21 US claimed
US-20100048964-A1 COMPOSITIONS AND METHODS FOR PRODUCING ISOPRENE FREE OF C5 HYDROCARBONS UNDER DECOUPLING CONDITIONS AND/OR SAFE OPERATING RANGES DANISCO US INC. 2010-02-25 US claimed
US-20260042929-A1 COMPOSITION FOR ELECTROCHEMICAL DEVICE FUNCTIONAL LAYER, FUNCTIONAL LAYER FOR ELECTROCHEMICAL DEVICE, LAMINATE FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE ZEON CORPORATION (JP) 2026-02-12 US disclosed
EP-4583293-A1 COMPOSITION FOR ELECTROCHEMICAL ELEMENT FUNCTIONAL LAYER, FUNCTIONAL LAYER FOR ELECTROCHEMICAL ELEMENT, LAMINATE FOR ELECTROCHEMICAL ELEMENT, AND ELECTROCHEMICAL ELEMENT Zeon Corporation (JP) 2025-07-09 EP disclosed
US-12290611-B2 Cell or tissue embedding device JAPAN VAM & POVAL CO., LTD. (JP) 2025-05-06 US disclosed
US-20250118863-A1 COMPOSITION CONTAINING INORGANIC-ORGANIC HYBRID COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2025-04-10 US disclosed
CN-119585934-A Composition for functional layer of electrochemical element, functional layer for electrochemical element, laminate for electrochemical element, and electrochemical element 日本瑞翁株式会社 2025-03-07 CN disclosed
EP-4458900-A1 COMPOSITION CONTAINING INORGANIC/ORGANIC HYBRID COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-11-06 EP disclosed
EP-3586824-B1 CELL- OR TISSUE-EMBEDDING DEVICE JAPAN VAM & POVAL CO LTD (JP) 2024-09-04 EP disclosed
EP-0498892-A1 FIBER SIZING AGENT KURARAY CO., LTD. (JP) 1992-08-19 EP disclosed
US-5102950-A Of vinyl alcohol, vinyl acetate and a 2-pyrrolidone ring containing compound KURARAY CO., LTD. (JP) 1992-04-07 US disclosed
EP-0354410-A2 Package made of a water soluble film KURARAY CO., LTD. (JP) 1990-02-14 EP disclosed
US-4670577-A Novel process ROUSSEL UCLAF (FR) 1987-06-02 US disclosed
EP-0119899-B1 PROCESS FOR THE PREPARATION OF 4-PENTENOIC ACID DERIVATIVES ROUSSEL-UCLAF (FR) 1986-03-05 EP disclosed
EP-0119899-A1 Process for the preparation of 4-pentenoic acid derivatives ROUSSEL-UCLAF (FR) 1984-09-26 EP disclosed
US-4322561-A COMPRISING REACTING AN OLEFIN AND A KETONE IN THE PRESENCE OF AN AMINE AND MANGANESE ACETATE ANIO S.P.A. (IT) 1982-03-30 US disclosed