SCHEMBL6002368

SCHEMBL6002368

[N-]=[N+]=C1C=C[CH]C=C1I

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
SCHEMBL6049804 0.56
SCHEMBL9242823 0.56
SCHEMBL5707850 0.55
SCHEMBL31426425 0.55
SCHEMBL7709747 0.48
SCHEMBL10177686 0.48
SCHEMBL1900770 0.47
1,2-Dichlorobenzene SCHEMBL5697321 0.44
SCHEMBL8370302 0.42
SCHEMBL1221734 0.38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025356-A1 28-epirapalogs ARIAD PHARMACEUTICALS, INC. 2006-02-02 US disclosed
US-6693189-B2 NON-IMMUNOSUPPRESSIVE RAPAMYCIN DERIVATIVES ARIAD GENE THERAPEUTICS, INC. 2004-02-17 US disclosed
US-6649595-B2 FK506 binding proteins (FKBPs); rapamysin derivatives; multimerizing chimeric proteins in genetically engineered cells using said derivatives ARIAD GENE THERAPEUTICS, INC. 2003-11-18 US disclosed
EP-1212331-A1 28-EPIRAPALOGS ARIAD GENE THERAPEUTICS, INC. (US) 2002-06-12 EP disclosed
WO-2001014387-A1 28-EPIRAPALOGS ARIAD GENE THERAPEUTICS, INC. (US) 2001-03-01 WO disclosed
EP-1045915-A2 REGULATION OF BIOLOGICAL EVENTS USING MULTIMERIC CHIMERIC PROTEINS ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-25 EP disclosed
WO-1999036553-A2 REGULATION OF BIOLOGICAL EVENTS USING MULTIMERIC CHIMERIC PROTEINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-07-22 WO disclosed