SCHEMBL10167892

SCHEMBL10167892

BCCCC(=O)OCC

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
SCHEMBL12252302 0.93 CYP1A2 (0.59)
SCHEMBL25823863 0.91 CYP1A2 (0.57)
SCHEMBL8233910 0.91 CYP1A2 (0.57)
SCHEMBL12824155 0.91 CYP1A2 (0.57)
SCHEMBL11907833 0.85
SCHEMBL8570508 0.85 CYP1A2 (0.73)
SCHEMBL50610 0.85 CYP1A2 (0.73)
SCHEMBL1331978 0.85 CYP1A2 (0.73)
SCHEMBL50734 0.85 CYP1A2 (0.73)
SCHEMBL1483107 0.82 CYP1A2 (0.70)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324410-B2 Modified drugs for use in liposomal nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-12-04 US disclosed
US-20120237591-A1 MODIFIED DRUGS FOR USE IN LIPOSOMAL NANOPARTICLES THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-09-20 US disclosed
EP-1534680-B1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PHARMACO INVESTMENTS INC (US) 2012-02-22 EP disclosed
EP-1657235-B1 Phenethanolamine-derived haptens, immunogens and conjugates comprising them and antibodies recognising said immunogenes and conjugates RANDOX LAB LTD (GB) 2011-09-21 EP disclosed
US-20110165225-A1 Modified Drugs for Use in Liposomal Nanoparticles THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2011-07-07 US disclosed
WO-2011001052-A1 NOVEL CONJUGATES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-06 WO disclosed
EP-2236489-A1 METHOD FOR PRODUCTION OF (2E,6Z,8E)-N-ISOBUTYL-2,6,8-DECATRIENAMIDE (SPILANTHOL), AND FOODS, BEVERAGES, COSMETICS AND PHARMACEUTICAL PREPARATIONS EACH COMPRISING THE COMPOUND Takasago International Corporation (JP) 2010-10-06 EP disclosed
US-20100105144-A1 ONIUM SALTS AND USE THEREOF FOR DETECTING AND ASSAYING METALS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-04-29 US disclosed
WO-2010006172-A2 2-METHYLENE-20(21)-DEHYDRO-19-NOR-VITAMIN D ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-14 WO disclosed
WO-2010006162-A2 2-METHYLENE-(20E)-20(22)-DEHYDRO-19-NOR-VITAMIN D ANALOGS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-14 WO disclosed
EP-2112138-A1 Onium salts and their use for detecting and dosing metals Commissariat a L'Energie Atomique (FR) 2009-10-28 EP disclosed
US-20080274907-A1 FLUOROGENIC PH SENSITIVE DYES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2008-11-06 US disclosed
WO-2008005268-A1 SUBSTITUTED PIPERIDINES THAT INCREASE P53 ACTIVITY AND THE USES THEREOF SCHERING CORPORATION (US) 2008-01-10 WO disclosed
EP-1249450-B1 BENZIMIDAZOLE DERIVATIVES AS HUMAN CHYMASE INHIBITORS TEIJIN PHARMA LTD (JP) 2007-10-10 EP disclosed