SCHEMBL6897699

SCHEMBL6897699

C=CCOCCC[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
SCHEMBL11374431 0.92
SCHEMBL4250570 0.90 POLB (0.39)
SCHEMBL462118 0.83
SCHEMBL826294 0.83 POLB (0.48)
SCHEMBL827143 0.83 POLB (0.48)
SCHEMBL197964 0.80 POLB (0.46)
SCHEMBL469931 0.80 POLB (0.46)
SCHEMBL472069 0.80 POLB (0.46)
SCHEMBL20565098 0.80 POLB (0.46)
SCHEMBL827865 0.80 POLB (0.46)

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
EP-1264865-B1 Addition-curable silicone composition with improved adhesion and cured silicone product DOW CORNING (US) 2004-05-12 EP disclosed
US-6512037-B1 Hydrosilylation addition-curable silicone composition containing a titanium or zirconium compound having at least one aliphatic carbon-carbon multiple bond DOW CORNING CORPORATION 2003-01-28 US disclosed
US-20030013802-A1 SILICONE COMPOSITION AND CURED SILICONE PRODUCT DOW CORNING CORPORATION 2003-01-16 US disclosed
EP-1264865-A1 Addition-curable silicone composition with improved adhesion and cured silicone product Dow Corning Corporation (US) 2002-12-11 EP disclosed
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed