SCHEMBL4867998

SCHEMBL4867998

CCCCCOC1CCC(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
PRKCA P17252 3/20 0.41
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GBA1 P04062 1/20 0.34
PTAFR P25105 1/20 0.34
KMT2A Q03164 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL1989091 0.98 CYP1A2 (0.54) CYP1A2PRKCACA1CA9ALDH1A1
SCHEMBL1985465 0.98 CYP1A2 (0.54) CYP1A2PRKCACA1CA9ALDH1A1
SCHEMBL8393422 0.98 CYP1A2 (0.54) CYP1A2PRKCACA1CA9ALDH1A1
SCHEMBL1983831 0.98 CYP1A2 (0.54) CYP1A2PRKCACA1CA9ALDH1A1
SCHEMBL1986800 0.98 CYP1A2 (0.54) CYP1A2PRKCACA1CA9ALDH1A1
SCHEMBL1985106 0.95 CYP1A2 (0.49) CYP1A2PRKCACA1CA9KMT2A
SCHEMBL7595469 0.90 CYP1A2 (0.45) CYP1A2PRKCAALDH1A1TDP1KMT2A
SCHEMBL7590787 0.89 CYP1A2 (0.44) CYP1A2PRKCAALDH1A1TDP1KMT2A
SCHEMBL29091854 0.80 CYP1A2 (0.43) CYP1A2PRKCAALDH1A1TDP1GBA1
SCHEMBL29091856 0.80 CYP1A2 (0.43) CYP1A2PRKCAALDH1A1TDP1GBA1

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-107721789-A Lactone compound aromatization method 中国石油化工股份有限公司 2018-02-23 CN disclosed
US-7407733-B2 Polymeric compound containing a repeated unit having a 2-oxatricyclo [4.2.1.04,8] nonan-3-one ring and photoresist resin composition DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-08-05 US disclosed
US-20060281022-A1 Polymeric compound containing a repeated unit having a 2-oxatricyclo [4.2.1.0 4.8] nonan-3-one ring and photoresist resin composition DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-12-14 US disclosed
EP-1681307-A1 POLYMERIC COMPOUND CONTAINING REPEATING UNIT HAVING 2-OXATRICYCLO[4.2.1.04,8]NONAN-3-ONE RING, AND PHOTORESIST RESIN COMPOSITION Daicel Chemical Industries, Ltd. (JP) 2006-07-19 EP disclosed
JP-2006036891-A alpha-UNSATURATED ACYLOXY-gamma-BUTYLOLACTONE DERIVATIVE, POLYMER COMPOUND AND RESIN COMPOSITION FOR PHOTORESIST DAICEL CHEM IND LTD 2006-02-09 JP disclosed
JP-2006036890-A beta-CARBOXY-alpha-UNSATURATED ACYLOXY-gamma-BUTYLOLACTONE DERIVATIVE, POLYMER COMPOUND AND RESIN COMPOSITION FOR PHOTORESIST DAICEL CHEM IND LTD 2006-02-09 JP disclosed
JP-2006036892-A α-UNSATURATED ACYLOXY-γ-BUTYLOLACTONE DERIVATIVE, POLYMER COMPOUND AND RESIN COMPOSITION FOR PHOTORESIST DAICEL CHEM IND LTD 2006-02-09 JP disclosed
JP-2006036893-A alpha-UNSATURATED ACYLOXY-gamma-BUTYLOLACTONE DERIVATIVE, POLYMER COMPOUND AND RESIN COMPOSITION FOR PHOTORESIST DAICEL CHEM IND LTD 2006-02-09 JP disclosed
EP-0888436-B2 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AG (DE) 2002-09-18 EP disclosed
US-6451753-B2 CYCLIC CARBAMATE, LACTONOXY OR LACTAM STRUCTURE AND/OR OXIME ESTERS AND INERT POROUS CARRIER OF GIVEN SURFACE AREA; STORAGE STABLE SOLID, FREE-FLOWING FORM BASF AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
US-20020013245-A1 SOLID COMPOSITION CONSISTING OF HETEROCYCLIC COMPOUNDS AND/ OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS AND THE USE THEREOF AS STABLE BLEACH ACTIVATOR COMPONENT IN DETERGENTS, BLEACHES AND CLEANERS BASF AKTIENGESELLSCHAFT (DE) 2002-01-31 US disclosed
WO-2001018231-A2 METHOD FOR PRODUCING (R) OR (S)-HYDROXY-η-BUTYROLACTONE LONZA AG (CH) 2001-03-15 WO disclosed
EP-0888436-B1 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AG (DE) 2000-06-21 EP disclosed
EP-0826025-B1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AG (DE) 2000-03-01 EP disclosed
US-5972237-A USED AS COLD BLEACH ACTIVATORS OR OPTICAL BRIGHTENERS IN DETERGENTS, CLEANERS AND BLEACHES AND IN DISINFECTANTS BASF AKTIENGESELLSCHAFT (DE) 1999-10-26 US disclosed
EP-0888436-A1 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1999-01-07 EP disclosed
EP-0826025-A1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-03-04 EP disclosed
WO-1997033964-A1 SOLID COMPOSITION OF HETEROCYCLIC COMPOUNDS AND/OR OXIME ESTERS AND INERT POROUS CARRIER MATERIALS BASF AKTIENGESELLSCHAFT (DE) 1997-09-18 WO disclosed
WO-1996036686-A1 USE OF HETEROCYCLIC COMPOUNDS AS ACTIVATORS FOR INORGANIC PEROXY COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1996-11-21 WO disclosed