SCHEMBL2934222

SCHEMBL2934222

N=C(N)NCC(S)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
Hydrochloric Acid SCHEMBL4379230 0.97
Hydrochloric Acid SCHEMBL9877999 0.77
SCHEMBL17234303 0.74 RNPEP (0.38)
SCHEMBL4108080 0.72
SCHEMBL11792284 0.72
SCHEMBL23961069 0.72 NOS3 (0.32)
SCHEMBL15297510 0.70
SCHEMBL23409655 0.70
SCHEMBL4095376 0.70
SCHEMBL17523047 0.70 MEN1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642129-B1 METHOD FOR THE PHOSPHORYLATED SITE ANALYSIS AND SELECTIVE LABELING AGENT KOREA BASIC SCIENCE INST (KR) 2008-08-20 EP claimed
EP-1799845-B1 IN-GEL TAGGING AND IN-GEL DIGESTION FOR PHOSPHOPROTEINS ANALYSIS AND PHOSPHORYLATION SITE IDENTIFICATION KOREA BASIC SCIENCE INST (KR) 2010-09-15 EP disclosed
US-7629744-B2 In-gel tagging and in-gel digestion for phosphoproteins analysis and phosphorylation site identification KOREA BASIC SCIENCE INSTITUTE (KR) 2009-12-08 US disclosed
EP-1799845-A4 IN-GEL TAGGING AND IN-GEL DIGESTION FOR PHOSPHOPROTEINS ANALYSIS AND PHOSPHORYLATION SITE IDENTIFICATION KOREA BASIC SCIENCE INST (KR) 2008-12-17 EP disclosed
EP-1642129-B1 METHOD FOR THE PHOSPHORYLATED SITE ANALYSIS AND SELECTIVE LABELING AGENT KOREA BASIC SCIENCE INST (KR) 2008-08-20 EP disclosed
US-20070287169-A1 In-Gel Tagging And In-Gel Digestion For Phosphoproteins Analysis And Phosphorylation Site Identification KOREA BASIC SCIENCE INSTITUTE (KR) 2007-12-13 US disclosed
US-7250266-B2 Selective labeling agent for phosphoproteome analysis and phosphorylated site analysis KOREA BASIC SCIENCE INSTITUTE (KR) 2007-07-31 US disclosed
EP-1799845-A1 IN-GEL TAGGING AND IN-GEL DIGESTION FOR PHOSPHOPROTEINS ANALYSIS AND PHOSPHORYLATION SITE IDENTIFICATION Korea Basic Science Institute (KR) 2007-06-27 EP disclosed
EP-1642129-A4 SELECTIVE LABELING AGENT FOR PHOSPHOPROTEOME ANALYSIS AND PHOSPHORYLATED SITE ANALYSIS KOREA BASIC SCIENCE INST (KR) 2006-07-26 EP disclosed
EP-1642129-A1 SELECTIVE LABELING AGENT FOR PHOSPHOPROTEOME ANALYSIS AND PHOSPHORYLATED SITE ANALYSIS Korea Basic Science Institute (KR) 2006-04-05 EP disclosed
WO-2006028310-A1 IN-GEL TAGGING AND IN-GEL DIGESTION FOR PHOSPHOPROTEINS ANALYSIS AND PHOSPHORYLATION SITE IDENTIFICATION KOREA BASIC SCIENCE INSTITUTE (KR) 2006-03-16 WO disclosed
WO-2005075993-A1 SELECTIVE LABELING AGENT FOR PHOSPHOPROTEOME ANALYSIS AND PHOSPHORYLATED SITE ANALYSIS KOREA BASIC SCIENCE INSTITUTE (KR) 2005-08-18 WO disclosed
US-20050176093-A1 SELECTIVE LABELING AGENT FOR PHOSPHOPROTEOME ANALYSIS AND PHOSPHORYLATED SITE ANALYSIS KOREA BASIC SCIENCE INSTITUTE (KR) 2005-08-11 US disclosed