SCHEMBL4465965

SCHEMBL4465965

CC(C)C[CH]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
SCHEMBL10821627 0.97
SCHEMBL27747483 0.75
SCHEMBL1330501 0.72
SCHEMBL16240 0.72
SCHEMBL2499215 0.72 ADH1B (0.38)
SCHEMBL27562567 0.71
Ammonia Solution, Strong SCHEMBL11322135 0.69
Methane SCHEMBL9155168 0.69
SCHEMBL9570709 0.69
SCHEMBL8463762 0.69

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1434813-A Pyrrolidine derivatives cyclic AMP-specific phosphodiesterase inhibitors ICOS CONP (US) 2003-08-06 CN claimed
EP-0162908-A4 PREPARATION OF ALKALINE EARTH METAL ORGANOMETALLIC COMPOUNDS. LITHIUM CORP (US) 1986-04-15 EP claimed
EP-0162908-A1 PREPARATION OF ALKALINE EARTH METAL ORGANOMETALLIC COMPOUNDS LITHIUM CORPORATION OF AMERICA (US) 1985-12-04 EP claimed
US-4555498-A Preparation of certain alkaline earth metal organometallic compounds LITHIUM CORPORATION OF AMERICA (US) 1985-11-26 US claimed
WO-1985002176-A1 PREPARATION OF ALKALINE EARTH METAL ORGANOMETALLIC COMPOUNDS LITHIUM CORPORATION OF AMERICA (US) 1985-05-23 WO claimed
EP-4211230-A1 COMPOSITIONS AND METHODS FOR T CELL ENGINEERING Gracell Biotechnologies (Shanghai) Co., Ltd. (CN) 2023-07-19 EP disclosed
WO-2022052913-A1 COMPOSITIONS AND METHODS FOR T CELL ENGINEERING GRACELL BIOTECHNOLOGIES (SHANGHAI) CO., LTD. (CN) 2022-03-17 WO disclosed
WO-2021223705-A1 COMPOSITIONS AND METHODS FOR T CELL ENGINEERING GRACELL BIOTECHNOLOGIES (SHANGHAI) CO., LTD. (CN) 2021-11-11 WO disclosed
WO-2021223359-A1 COMPOSITIONS AND METHODS FOR T CELL ENGINEERING GRACELL BIOTECHNOLOGIES (SHANGHAI) CO., LTD. (CN) 2021-11-11 WO disclosed
EP-3874030-A1 COMPOSITIONS AND METHODS FOR T CELL ENGINEERING Gracell Biotechnologies (Shanghai) Co., Ltd. (CN) 2021-09-08 EP disclosed
WO-2020019107-A1 IRE1α INHIBITOR IN COMBINATION WITH CANCER THERAPEUTIC AGENT FOR CANCER TREATMENT FOSUN ORINOVE PHARMATECH, INC. (CN) 2020-01-30 WO disclosed
CN-110520537-A Method for generating methyl methacrylate LUCITE INT UK LTD 2019-11-29 CN disclosed
CN-107208117-A The enzymatic method of isobutanol production 新派克股份公司 2017-09-26 CN disclosed
CN-101889092-A Biofuel production BIO ARCHITECTURE LAB INC 2010-11-17 CN disclosed
US-7550486-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20080132523-A1 N-UREIDOALKYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-7351720-B2 N-ureidoalkyl-piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-01 US disclosed
EP-0332076-A2 Cyclohexenone compounds, process for their preparation and their use in combating unwanted plant growth BASF Aktiengesellschaft (DE) 1989-09-13 EP disclosed
US-4555498-A Preparation of certain alkaline earth metal organometallic compounds LITHIUM CORPORATION OF AMERICA (US) 1985-11-26 US disclosed