SCHEMBL195747

SCHEMBL195747

CC(O)C(C)(C)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
SCHEMBL483574 0.78
SCHEMBL730626 0.77 TRPA1 (0.30)
SCHEMBL1782062 0.75 GAPDH (0.36)
SCHEMBL1782061 0.75 GAPDH (0.36)
SCHEMBL270229 0.73
Ammonia Solution, Strong SCHEMBL27851152 0.71
SCHEMBL9578294 0.71 CYP2C19 (0.30)
Isobutyraldehyde SCHEMBL6472427 0.71
SCHEMBL4520062 0.71
SCHEMBL1784149 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216934-A1 LIPID COMPOSITIONS COMPRISING POLYNUCLEOTIDE ANTIGENS ImmunoVaccine Technologies Inc. (CA) 2023-08-02 EP disclosed
WO-2022064274-A1 LIPID COMPOSITIONS COMPRISING POLYNUCLEOTIDE ANTIGENS IMMUNOVACCINE TECHNOLOGIES INC. (CA) 2022-03-31 WO disclosed
EP-2206751-B1 COLORING COMPOSITION, METHOD FOR PRODUCTION THEREOF, AND COLORING METHOD DAINICHISEIKA COLOR CHEM (JP) 2020-01-08 EP disclosed
EP-3216863-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-09-13 EP disclosed
EP-3216863-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-09-13 EP disclosed
EP-2978748-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-05-10 EP disclosed
EP-2978748-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-05-10 EP disclosed
EP-2978748-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN Pfizer Ireland Pharmaceuticals (IE) 2016-02-03 EP disclosed
US-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin PFIZER INC 2016-01-28 US disclosed
US-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin PFIZER INC 2016-01-28 US disclosed
EP-2206751-A1 COLORING COMPOSITION, METHOD FOR PRODUCTION THEREOF, AND COLORING METHOD Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2010-07-14 EP disclosed
US-7611572-B2 Pixel-forming colorant compositions and their use DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2009-11-03 US disclosed
EP-1717277-A2 Pixel-forming colorant compositions and their use Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2006-11-02 EP disclosed
US-20060213394-A1 PIXEL-FORMING COLORANT COMPOSITIONS AND THEIR USE DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2006-09-28 US disclosed
US-20050026998-A1 Compounds for the controlled release of active aldehydes FIRMENICH SA (CH) 2005-02-03 US disclosed
EP-1487815-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2004-12-22 EP disclosed
WO-2003082850-A1 COMPOUNDS FOR THE CONTROLLED RELEASE OF ACTIVE ALDEHYDES FIRMENICH SA (CH) 2003-10-09 WO disclosed
EP-0274075-B1 POLYVINYL ACETAL, LIGHT-SENSITIVE COMPOSITION CONTAINING IT AND REPRODUCTION MATERIAL MADE THEREFROM HOECHST AKTIENGESELLSCHAFT (DE) 1993-05-26 EP disclosed
US-4940646-A Polyvinyl acetal with hydroxy aliphatic acetal groups useful in photosensitive negative working compositions HOECHST AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed
EP-0274075-A2 Polyvinyl acetal, light-sensitive composition containing it and reproduction material made therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-13 EP disclosed