SCHEMBL736687

SCHEMBL736687

CC(C)(C)Oc1c(OC(C)(C)C)c(=O)c1=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
SCHEMBL7780750 0.89
SCHEMBL2443496 0.84 POLB (0.35)
SCHEMBL10035662 0.83
SCHEMBL7872728 0.81
SCHEMBL8640723 0.81
SCHEMBL14497996 0.79
SCHEMBL14497994 0.79
SCHEMBL2218579 0.78 ALDH1A1 (0.36)
SCHEMBL2241517 0.77
SCHEMBL2247097 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5334489-A Hydroxylating 3,4-disubstituted-cyclobut-3-ene-1,2-dione by heating in presence of acid catalysts which is generated by exposing actinic radiation from superacid precursor POLAROID CORPORATION (US) 1994-08-02 US claimed
US-9045654-B2 Multilayer articles capable of forming color images 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-02 US disclosed
US-9045654-B2 Multilayer articles capable of forming color images 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-02 US disclosed
US-8975011-B2 Multi-layer articles capable of forming color images and method of forming color images 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-10 US disclosed
US-8975011-B2 Multi-layer articles capable of forming color images and method of forming color images 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-10 US disclosed
US-8975012-B2 Multi-layer articles capable of forming color images and methods of forming color images 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-10 US disclosed
US-8975012-B2 Multi-layer articles capable of forming color images and methods of forming color images 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-10 US disclosed
US-20140039195-A1 Squarylated Lactones Inhibitors for Bacterial Biofilm Formation SYRACUSE UNIVERSITY (US) 2014-02-06 US disclosed
US-20130095435-A1 MULTI-LAYER ARTICLES CAPABLE OF FORMING COLOR IMAGES AND METHODS OF FORMING COLOR IMAGES 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-18 US disclosed
US-20130095434-A1 MULTI-LAYER ARTICLES CAPABLE OF FORMING COLOR IMAGES AND METHOD OF FORMING COLOR IMAGES 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-18 US disclosed
US-5401607-A Iodonium salt and squarylium dye with pyrilium group for acid formation POLAROID CORPORATION (US) 1995-03-28 US disclosed
US-5395736-A Exposing superoxide precursor to actinic radiation, generating superacid, mixing with oxalic acid diester, heating POLAROID CORPORATION (US) 1995-03-07 US disclosed
US-5334489-A Hydroxylating 3,4-disubstituted-cyclobut-3-ene-1,2-dione by heating in presence of acid catalysts which is generated by exposing actinic radiation from superacid precursor POLAROID CORPORATION (US) 1994-08-02 US disclosed
WO-1994010607-A1 IMAGING MEDIUM AND PROCESS POLAROID CORPORATION (US) 1994-05-11 WO disclosed
WO-1994009992-A1 HEAT-SENSITIVE IMAGE RECORDING MEDIUM AND PROCESS POLAROID CORPORATION (US) 1994-05-11 WO disclosed
WO-1994010606-A1 IMAGING MEDIUM AND PROCESS POLAROID CORPORATION (US) 1994-05-11 WO disclosed
US-5286612-A Mixture of superacid precursor and dye POLAROID CORPORATION (US) 1994-02-15 US disclosed
US-5278031-A Neutralization of acid compounds and reverse coloring POLAROID CORPORATION (US) 1994-01-11 US disclosed
WO-1993002710-A2 USE OF PERSISTENT FREE RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1993-02-18 WO disclosed
WO-1993002711-A1 USE OF PERSISTENT FREE-RADICALS IN MAGNETIC RESONANCE IMAGING NYCOMED INNOVATION AB (SE) 1993-02-18 WO disclosed