SCHEMBL3569158

SCHEMBL3569158

O=C1C(=C2C=CC=CN2)CNCC1=C1C=CC=CN1

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
SCHEMBL979402 0.80
SCHEMBL18691332 0.69
SCHEMBL5051523 0.67 MAOA (0.47)
Ethylene SCHEMBL28529003 0.65
SCHEMBL15121311 0.63 MEN1 (0.41)
SCHEMBL18765777 0.62
SCHEMBL4195475 0.60
SCHEMBL4798625 0.59 CRBN (0.37)
SCHEMBL8762693 0.58
SCHEMBL8762698 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842705-B2 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY (US) 2010-11-30 US disclosed
US-20080234320-A1 CURCUMIN ANALOGS WITH ANTI-TUMOR AND ANTI-ANGIOGENIC PROPERTIES EMORY UNIVERSITY 2008-09-25 US disclosed
US-7371766-B2 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY (US) 2008-05-13 US disclosed
US-20040176384-A1 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY 2004-09-09 US disclosed
US-6664272-B2 Such as 1,5-Bis-(2, 4-difluorophenyl)penta-1,4-diene-3 -one; administering to inhibit tissue factor and vascular endothelial growth factor (VEGF) production in cancerous tissue EMORY UNIVERSITY 2003-12-16 US disclosed
EP-1242379-A1 CURCUMIN ANALOGUES FOR TREATING CANCER Emory University (US) 2002-09-25 EP disclosed
WO-2001040188-A9 CURCUMIN ANALOGUES FOR TREATING CANCER UNIV EMORY (US) 2002-07-25 WO disclosed
US-20020019382-A1 Curcumin analogs with anti-tumor and anti-angiogenic properties EMORY UNIVERSITY 2002-02-14 US disclosed
WO-2001040188-A1 CURCUMIN ANALOGUES FOR TREATING CANCER EMORY UNIVERSITY (US) 2001-06-07 WO disclosed