SCHEMBL3868009

SCHEMBL3868009

C[C@H](NO)C(N)=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
SCHEMBL3868006 1.00
SCHEMBL9134947 0.79 CA2 (0.42)
SCHEMBL9134940 0.79 CA2 (0.42)
SCHEMBL11774866 0.78 LMNA (0.35)
SCHEMBL23019171 0.75
SCHEMBL821091 0.75
SCHEMBL2718684 0.75
SCHEMBL29089183 0.75
SCHEMBL300789 0.75
SCHEMBL4447524 0.75

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-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US claimed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 US claimed
EP-1461313-A1 HUMAN ADAM-10 INHIBITORS Exelixis, Inc. (US) 2004-09-29 EP claimed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 WO claimed
EP-2813512-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD Chugai Seiyaku Kabushiki Kaisha (JP) 2014-12-17 EP disclosed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
WO-2012021796-A2 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL, INC. (US) 2012-02-16 WO disclosed
WO-2010053547-A2 CXCR5 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. (US) 2010-05-14 WO disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 US disclosed
EP-1461313-A1 HUMAN ADAM-10 INHIBITORS Exelixis, Inc. (US) 2004-09-29 EP disclosed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 WO disclosed