SCHEMBL1237132

SCHEMBL1237132

O=CCC(O)C(F)(F)C(=O)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
SCHEMBL9526442 0.75
SCHEMBL24613135 0.71 CETP (0.52)
SCHEMBL7347552 0.71 TSHR (0.42)
SCHEMBL23949233 0.71 CETP (0.52)
SCHEMBL7347545 0.71 TSHR (0.42)
SCHEMBL891950 0.68 CHRM1 (0.41)
SCHEMBL891958 0.68 RNPEP (0.38)
SCHEMBL23949232 0.68 HTT (0.32)
Trifluoroacetic Acid SCHEMBL20539407 0.68 CETP (0.48)
Trifluoroacetic Acid SCHEMBL30671764 0.68 GRIK1 (0.32)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10149644-B2 Curcumin derivatives for amyloid-β plaque imaging THE GENERAL HOSPITAL CORPORATION (US) 2018-12-11 US disclosed
US-9757477-B2 Imaging brown adipose tissue with curcumin derivatives THE GENERAL HOSPITAL CORPORATION (US) 2017-09-12 US disclosed
US-20160193363-A1 Imaging Brown Adipose Tissue with Curcumin Derivatives THE GENERAL HOSPITAL CORPORATION 2016-07-07 US disclosed
US-20150087937-A1 CURCUMIN DERIVATIVES FOR AMYLOID-BETA PLAQUE IMAGING MASSACHUSETTS GENERAL HOSPITAL (US) 2015-03-26 US disclosed
US-8986657-B2 Methods and system for detecting soluble amyloid-β THE GENERAL HOSPITAL CORPORATION (US) 2015-03-24 US disclosed
WO-2015034996-A1 IMAGING BROWN ADIPOSE TISSUE WITH CURCUMIN DERIVATIVES THE GENERAL HOSPITAL CORPORATION (US) 2015-03-12 WO disclosed
US-20120183474-A1 Methods and System for Detecting Soluble Amyloid-Beta THE GENERAL HOSPITAL CORPORATION 2012-07-19 US disclosed
US-20110208064-A1 Curcumin Derivatives for Amyloid-Beta Plaque Imaging THE GENERAL HOSPITAL CORPORATION 2011-08-25 US disclosed
WO-2011014648-A2 METHODS AND SYSTEM FOR DETECTING SOLUBLE AMYLOID-β THE GENERAL HOSPITAL CORPORATION (US) 2011-02-03 WO disclosed
WO-2010017094-A2 CURCUMIN DERIVATIVES FOR AMYLOID-β PLAQUE IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2010-02-11 WO disclosed