SCHEMBL5469683

SCHEMBL5469683

COC(N(C)N1C(=O)CCC1=O)=[N+](C)C

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
SCHEMBL1672599 0.93
SCHEMBL7263952 0.70
SCHEMBL352075 0.69 CA12 (0.33)
SCHEMBL171608 0.68
SCHEMBL4499284 0.66
SCHEMBL131101 0.63
SCHEMBL2248281 0.62
SCHEMBL8736481 0.62 ALDH1A1 (0.38)
SCHEMBL5469680 0.62
SCHEMBL6661449 0.61

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
EP-0983272-B1 A NEW CLASS OF BENZOPORPHYRIN DERIVATIVE PHOTOACTIVE COMPOUNDS UNIV BRITISH COLUMBIA (CA) 2003-10-29 EP claimed
US-7166715-B2 Nitro-substituted non-fluorescent asymmetric cyanine dye compounds APPLERA CORPORATION (US) 2007-01-23 US disclosed
US-20050009058-A1 As quencher in reporter-quencher energy-transfer dye pair for nucleic acid hybridization assays; hairpin motif APPLERA CORPORATION (US) 2005-01-13 US disclosed
US-6750024-B2 USEFUL AS QUENCHERS IN A REPORTER-QUENCHER ENERGY-TRANSFER DYE PAIR APPLERA CORPORATION 2004-06-15 US disclosed
US-20030207305-A1 Nitro-substituted non-fluorescent asymmetric cyanine dye compounds APPLERA CORPORATION (US) 2003-11-06 US disclosed
US-6541618-B1 Detecting hybrids APPLERA CORPORATION 2003-04-01 US disclosed
EP-1049744-B1 ASYMMETRIC CYANINE DYE QUENCHERS PE CORP NY (US) 2002-01-23 EP disclosed
EP-1049744-A1 ASYMMETRIC CYANINE DYE QUENCHERS PE Corporation (NY) (US) 2000-11-08 EP disclosed
US-6080868-A AS A QUENCHER IN A REPORTER-QUENCHER ENERGY-TRANSFER DYE PAIR FOR NUCLEIC ACID HYBRIDIZATION ASSAYS THE PERKIN-ELMER CORPORATION (US) 2000-06-27 US disclosed
WO-1999037717-A1 ASYMMETRIC CYANINE DYE QUENCHERS THE PERKIN-ELMER CORPORATION (US) 1999-07-29 WO disclosed