SCHEMBL4863339

SCHEMBL4863339

NCC(=O)NCC=S

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
SCHEMBL1036565 0.77
SCHEMBL16314782 0.75
SCHEMBL1264763 0.75
SCHEMBL6287629 0.74
SCHEMBL7139868 0.73
Hydrochloric Acid SCHEMBL6029776 0.73
SCHEMBL2524054 0.73
SCHEMBL14542738 0.71 FNTA (0.41)
SCHEMBL7605311 0.70
SCHEMBL21664183 0.70 TERT (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347784-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION Bristol-Myers Squibb Pharma Company (US) 2003-10-01 EP claimed
WO-2002036173-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-10 WO claimed
US-7408023-B2 Peptoids incorporating chemoselective functionalities NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-08-05 US disclosed
US-20060188916-A1 Peptoids incorporating chemoselective functionalities NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2006-08-24 US disclosed
US-7030216-B2 Peptoids incorporating chemoselective functionalities CHIRON CORPORATION (US) 2006-04-18 US disclosed
WO-2003099810-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-12-04 WO disclosed
EP-1347784-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION Bristol-Myers Squibb Pharma Company (US) 2003-10-01 EP disclosed
US-20020169281-A1 Peptoids incorporating chemoselective functionalities CHIRON CORPORATION 2002-11-14 US disclosed
WO-2002081637-A2 PEPTIDES INCORPORATING CHEMOSELECTIVE FUNCTIONALITIES CHIRON CORPORATION (US) 2002-10-17 WO disclosed
WO-2002036173-A2 SIMULTANEOUS DUAL ISOTOPE IMAGING OF CARDIAC PERFUSION AND CARDIAC INFLAMMATION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-05-10 WO disclosed
EP-0999856-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION Du Pont Pharmaceuticals Company (US) 2000-05-17 EP disclosed
WO-1998015295-A2 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION DUPONT PHARMACEUTICALS COMPANY (US) 1998-04-16 WO disclosed