SCHEMBL3713097

SCHEMBL3713097

C=CCN1C=C[CH]C=C1

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
SCHEMBL1032396 0.85 MEN1 (0.35)
SCHEMBL249857 0.76
SCHEMBL6013334 0.73 MEN1 (0.39)
SCHEMBL10871381 0.69
SCHEMBL9352176 0.69 MEN1 (0.46)
SCHEMBL7485753 0.69
SCHEMBL572745 0.64
Hydrochloric Acid SCHEMBL16681662 0.62
SCHEMBL7212924 0.60
SCHEMBL87312 0.59 CYP3A4 (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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10220039-B2 Method of treating polycystic kidney diseases with ceramide derivatives GENZYME CORPORATION (US) 2019-03-05 US disclosed
EP-2550965-B1 Ceramide derivatives for treating polycystic kidney disease GENZYME CORP (US) 2019-01-16 EP disclosed
EP-2209473-B1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORP (US) 2017-11-22 EP disclosed
US-20170258802-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2017-09-14 US disclosed
US-20150216872-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2015-08-06 US disclosed
US-8912177-B2 Method of treating polycystic kidney diseases with ceramide derivatives GENZYME CORPORATION (US) 2014-12-16 US disclosed
EP-2550965-A2 Ceramide derivatives for treating polycystic kidney disease GENZYME CORPORATION (US) 2013-01-30 EP disclosed
US-20100298317-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION 2010-11-25 US disclosed
EP-2209473-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES Genzyme Corporation (US) 2010-07-28 EP disclosed
WO-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed
WO-2009045503-A1 METHOD OF TREATING POLYCYSTIC KIDNEY DISEASES WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-04-09 WO disclosed