SCHEMBL4552566

SCHEMBL4552566

CC(C)=C([C]=O)C(C)C

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
SCHEMBL11315475 0.75
SCHEMBL2877 0.62
SCHEMBL3626672 0.60
SCHEMBL4966369 0.60
SCHEMBL23235576 0.58
SCHEMBL6671938 0.58
SCHEMBL1388169 0.58
Carbon Dioxide SCHEMBL27445899 0.58
SCHEMBL28995712 0.58
SCHEMBL4216353 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608244-B2 Hydrophilic light absorbing compositions for determination of physiological function in critically ill patients MALLINCKRODT INC. (US) 2009-10-27 US disclosed
US-20090263327-A1 MINIMALLY INVASIVE PHYSIOLOGICAL FUNCTION MONITORING AGENTS MALLINCKRODT INC. (US) 2009-10-22 US disclosed
US-7556797-B2 Minimally invasive physiological function monitoring agents MALLINCKRODT INC. (US) 2009-07-07 US disclosed
US-7468177-B2 Hydrophilic light absorbing compositions for determination of physiological function in critically ill patients MALLINCKRODT INC. (US) 2008-12-23 US disclosed
US-7438894-B2 Dyes for organ function monitoring MALLINCKRODT, INC. (US) 2008-10-21 US disclosed
US-20080056989-A1 Novel Dyes for Organ Function Monitoring MALLINCKRODT, INC. (US) 2008-03-06 US disclosed
US-20070269373-A1 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS MALLINCKRODT, INC. (US) 2007-11-22 US disclosed
US-20070269368-A1 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS MALLINCKRODT, INC. (US) 2007-11-22 US disclosed
US-7297325-B2 Hydrophilic light absorbing compositions for determination of physiological function MALLINCKRODT INC. (US) 2007-11-20 US disclosed
US-20070140962-A1 Light Sensitive Compounds for Instant Determination of Organ Function MALLINCKRODT INC. (US) 2007-06-21 US disclosed
EP-1326649-A1 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS MALLINCKRODT INC. (US) 2003-07-16 EP disclosed
EP-1326648-A1 NOVEL DYES FOR ORGAN FUNCTION MONITORING Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
EP-1326650-A2 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
EP-1326647-A1 LIGHT SENSITIVE COMPOUNDS FOR INSTANT DETERMINATION OF ORGAN FUNCTION Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
EP-1326651-A2 DYNAMIC ORGAN FUNCTION MONITORING AGENTS Mallinckrodt Inc. (US) 2003-07-16 EP disclosed
WO-2002032285-A2 HYDROPHILIC LIGHT ABSORBING COMPOSITIONS FOR DETERMINATION OF PHYSIOLOGICAL FUNCTION IN CRITICALLY ILL PATIENTS MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032466-A1 LIGHT SENSITIVE COMPOUNDS FOR INSTANT DETERMINATION OF ORGAN FUNCTION MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032464-A1 NOVEL DYES FOR ORGAN FUNCTION MONITORING MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032465-A1 TISSUE-SPECIFIC EXOGENOUS OPTICAL AGENTS MALLINCKRODT INC. (US) 2002-04-25 WO disclosed
WO-2002032860-A2 DYNAMIC ORGAN FUNCTION MONITORING AGENTS MALLINCKRODT INC. (US) 2002-04-25 WO disclosed