SCHEMBL6949939

SCHEMBL6949939

CCC(N=C=S)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
SCHEMBL9725035 0.78 TRPA1 (0.46)
SCHEMBL2910099 0.78 TRPA1 (0.31)
SCHEMBL2568072 0.76 CYP1A2 (0.38)
Hydrochloric Acid SCHEMBL3390199 0.76 TRPA1 (0.30)
SCHEMBL34280 0.76 CYP1A2 (0.38)
SCHEMBL301679 0.75
SCHEMBL28130091 0.75
Hydrochloric Acid SCHEMBL153625 0.75 CYP1A2 (0.36)
SCHEMBL21808585 0.75 CYP1A2 (0.36)
Hydrochloric Acid SCHEMBL5078995 0.75 CYP1A2 (0.36)

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632815-B1 SEQUENTIAL DEGRADATION OF PROTEINS AND PEPTIDES FROM THE N-TERMINUS HOPE CITY (US) 2000-02-09 EP claimed
EP-0632815-A4 SEQUENTIAL DEGRADATION OF PROTEINS AND PEPTIDES FROM THE N-TERMINUS. HOPE CITY (US) 1996-08-21 EP claimed
US-5432093-A Sequential degradation of proteins and peptides from the N-terminus CITY OF HOPE (US) 1995-07-11 US claimed
EP-0632815-A1 SEQUENTIAL DEGRADATION OF PROTEINS AND PEPTIDES FROM THE N-TERMINUS CITY OF HOPE (US) 1995-01-11 EP claimed
WO-1994012538-A1 SEQUENTIAL DEGRADATION OF PROTEINS AND PEPTIDES FROM THE N-TERMINUS CITY OF HOPE (US) 1994-06-09 WO claimed
US-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE THE PROCTER & GAMBLE COMPANY 2017-06-01 US disclosed
EP-0808829-B1 Fluorescent group-containing carbodiimide compound NISSHIN SPINNING (JP) 2003-04-09 EP disclosed
EP-0812823-B1 Chemiluminescent group-containing carbodiimide compound NISSHIN SPINNING (JP) 2001-08-16 EP disclosed
EP-0632815-B1 SEQUENTIAL DEGRADATION OF PROTEINS AND PEPTIDES FROM THE N-TERMINUS HOPE CITY (US) 2000-02-09 EP disclosed
EP-0804735-A4 N-TERMINAL PROTEIN SEQUENCING REAGENTS AND METHODS WHICH FORM AMINO ACID DERIVATIVES HOPE CITY (US) 1999-12-22 EP disclosed
US-5912344-A Chemiluminescent group-containing carbodiimide compound NISSHINBO INDUSTRIES, INC. (JP) 1999-06-15 US disclosed
US-5856479-A LABEL FOR NUCLEIC ACID DETECTION, IMMUNOASSAY OR CHEMILUMINESCENCE NISSHINBO INDUSTRIES, INC. (JP) 1999-01-05 US disclosed
EP-0632815-A4 SEQUENTIAL DEGRADATION OF PROTEINS AND PEPTIDES FROM THE N-TERMINUS. HOPE CITY (US) 1996-08-21 EP disclosed
WO-1996002003-A1 N-TERMINAL PROTEIN SEQUENCING REAGENTS AND METHODS WHICH FORM AMINO ACID DERIVATIVES CITY OF HOPE (US) 1996-01-25 WO disclosed
EP-0669002-A1 N-TERMINAL SEQUENCING OF PROTEINS AND PEPTIDES CITY OF HOPE (US) 1995-08-30 EP disclosed
US-5432093-A Sequential degradation of proteins and peptides from the N-terminus CITY OF HOPE (US) 1995-07-11 US disclosed
US-5432091-A N-terminal sequencing of proteins and peptides CITY OF HOPE (US) 1995-07-11 US disclosed
WO-1995008119-A1 N-TERMINAL SEQUENCING OF PROTEINS AND PEPTIDES CITY OF HOPE (US) 1995-03-23 WO disclosed
EP-0632815-A1 SEQUENTIAL DEGRADATION OF PROTEINS AND PEPTIDES FROM THE N-TERMINUS CITY OF HOPE (US) 1995-01-11 EP disclosed
WO-1994012538-A1 SEQUENTIAL DEGRADATION OF PROTEINS AND PEPTIDES FROM THE N-TERMINUS CITY OF HOPE (US) 1994-06-09 WO disclosed