SCHEMBL5217414

SCHEMBL5217414

CC(C)(C)C(=O)C=[N+]=[N-]

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
SCHEMBL17535899 0.72 NPSR1 (0.40)
SCHEMBL9183730 0.69 NPSR1 (0.41)
SCHEMBL7074997 0.67
SCHEMBL42660 0.67 MEN1 (0.38)
SCHEMBL5204758 0.67 ALDH1A1 (0.38)
SCHEMBL11781268 0.67
SCHEMBL8464142 0.65 ALDH1A1 (0.39)
SCHEMBL8464139 0.65 ALDH1A1 (0.39)
SCHEMBL367403 0.65
SCHEMBL8875892 0.65 ALDH1A1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115185156-A Photosensitive resin composition for forming partition wall, organic electroluminescent element, image display device, and illumination 三菱化学株式会社 2022-10-14 CN disclosed
CN-109661855-B Photosensitive resin composition for forming organic electroluminescent element spacer, organic electroluminescent element, image display device, and lighting 三菱化学株式会社 2022-07-08 CN disclosed
US-10392389-B2 Heterocyclic compounds for the inhibition of PASK BIOENERGENIX LLC (US) 2019-08-27 US disclosed
CN-109661855-A Photosensitive resin composition for forming organic electroluminescent element partition wall, organic electroluminescent element, image display device, and illumination 三菱化学株式会社 2019-04-19 CN disclosed
US-20150284395-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX LLC 2015-10-08 US disclosed
WO-2014066795-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2014-05-01 WO disclosed
EP-1042307-B1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2007-10-03 EP disclosed
EP-1087951-B9 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2006-09-13 EP disclosed
EP-1087951-B1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2005-02-09 EP disclosed
CN-1160343-C Aminothiazole inhibitors of cyclin dependent protein kinasses of cells ����˹�ж�-����˹˹������˾ 2004-08-04 CN disclosed
WO-2001044217-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed
EP-1087951-A1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-04-04 EP disclosed
CN-1278806-A Aminothiazole inhibitors of cyclin dependent protein kinasses of cells BRISTOL MYERS SQUIBB CO (US) 2001-01-03 CN disclosed
EP-1042307-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-11 EP disclosed
US-6040321-A ENZYME INHIBITOR TREATING CANCER, INFLAMMATION AND ARTHRITIS, NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, CARDIOVASCULAR DISEASES, VIRAL DISEASES AND FUNGAL DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-21 US disclosed
WO-1999065884-A1 CARBON SUBSTITUTED AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-23 WO disclosed
WO-1999024416-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 WO disclosed
EP-0466730-B1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1993-07-21 EP disclosed
US-5220021-A Geminal bisphosphonic acids and derivatives as anti-arthritic agents THE UPJOHN COMPANY (US) 1993-06-15 US disclosed
WO-1990012017-A1 GEMINAL BISPHOSPHONIC ACIDS AND DERIVATIVES AS ANTI-ARTHRITIC AGENTS THE UPJOHN COMPANY (US) 1990-10-18 WO disclosed