SCHEMBL12253290

SCHEMBL12253290

OC1CCC(/C=C/C2CC(/C=C/C3CCC(O)CC3)C(O)CC2O)CC1

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
SCHEMBL17269445 0.86
SCHEMBL7566987 0.80 TSHR (0.41)
SCHEMBL12062579 0.80 TSHR (0.41)
SCHEMBL12253312 0.74
SCHEMBL12253303 0.73 TSHR (0.32)
SCHEMBL12253310 0.73 TSHR (0.32)
SCHEMBL12253302 0.70
SCHEMBL7561678 0.67 TSHR (0.35)
SCHEMBL12459785 0.67 FUCA1 (0.33)
SCHEMBL8827724 0.65 TSHR (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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224637-A1 INTRANSAL DELIVERY OF CURCUMIN DePuy Synthes Products, Inc. (US) 2017-08-10 US disclosed
EP-2749552-B1 Curcumin-resveratrol hybrids CODMAN & SHURTLEFF (US) 2015-11-18 EP disclosed
EP-2749552-A1 Curcumin-resveratrol hybrids Codman & Shurtleff, Inc. (US) 2014-07-02 EP disclosed
US-20140163116-A1 METHOD OF TREATING CANCER USING A CURCUMIN DERIVATIVE DePuy Synthes Products, LLC (US) 2014-06-12 US disclosed
US-20130150628-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CURCUMIN DERIVATIVE DIMAURO THOMAS M (US) 2013-06-13 US disclosed
US-8350093-B2 Methylated curcumin-resveratrol hybrid molecules for treating cancer CODMAN & SHURTLEFF, INC. (US) 2013-01-08 US disclosed
US-8288444-B2 Iontophoretic delivery of curcumin and curcumin analogs for the treatment of Alzheimer's disease CODMAN & SHURTLEFF, INC. (US) 2012-10-16 US disclosed
US-20110257587-A1 Iontophoretic Delivery of Curcumin and Curcumin Analogs for the Treatment of Alzheimers Disease LILIENFELD SEAN 2011-10-20 US disclosed
EP-2359820-A1 Shunt delivery of curcumin for the treatment Alzneimer Codman & Shurtleff, Inc. (US) 2011-08-24 EP disclosed
US-7985776-B2 charged curcuminoid such as bisdemethoxycurcumin, curcumin and glycinates, as well as hybrid compounds of bisdemethoxycurcumin and resveratrol, fisetin, or honokiol; bioavailability CODMAN & SHURTLEFF, INC. (US) 2011-07-26 US disclosed
US-20110130392-A1 Method of Administering a Methylene Blue - Curcumin Analog for the Treatment of Alzheimer's Disease DEPUY SPINE, LLC 2011-06-02 US disclosed
US-7906643-B2 Methylene blue-curcumin analog for the treatment of Alzheimer's Disease CODMAN & SHURTLEFF, INC. (US) 2011-03-15 US disclosed
US-20100292512-A1 Methylated Curcumin-Resveratrol Hybrid Molecules for Treating Cancer DEPUY SPINE, LLC 2010-11-18 US disclosed
US-20100190978-A1 METHYLENE BLUE - CURCUMIN ANALOG FOR THE TREATMENT OF ALZHEIMER'S DISEASE CODMAN & SHURTLEFF, INC. 2010-07-29 US disclosed
US-7745670-B2 Curcumin-Resveratrol hybrid molecule CODMAN & SHURTLEFF, INC. (US) 2010-06-29 US disclosed
US-7723515-B1 Methylene blue—curcumin analog for the treatment of alzheimer's disease CODMAN & SHURTLEFF, INC. (US) 2010-05-25 US disclosed
US-20090326275-A1 USE OF NITROGEN-CONTAINING CURCUMIN ANALOGS FOR THE TREATMENT OF ALZHEIMERS DISEASE DEPUY SPINE, LLC 2009-12-31 US disclosed
US-20090325963-A1 Iontophoretic Delivery of Curcumin and Curcumin Analogs for the Treatment of Alzheimer's Disease CODMAN & SHURTLEFF, INC. 2009-12-31 US disclosed
US-20090087385-A1 Intranasally administering curcumin in a bolus of helium gas to treat alzheimers disease CODMAN & SHURTLEFF, INC. 2009-04-02 US disclosed