SCHEMBL411098

SCHEMBL411098

COC(=S)n1ccnc1

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
SCHEMBL12489828 0.77 QPCT (0.33)
SCHEMBL19185024 0.77 QPCT (0.33)
SCHEMBL12489304 0.77 ALDH1A1 (0.36)
SCHEMBL762773 0.76
SCHEMBL12490733 0.76 HSD17B10 (0.33)
SCHEMBL411293 0.76
Dimethylamine SCHEMBL4795722 0.76 QPCT (0.38)
SCHEMBL13388819 0.76
SCHEMBL19185043 0.76
SCHEMBL25270 0.75 QPCT (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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804735-A4 N-TERMINAL PROTEIN SEQUENCING REAGENTS AND METHODS WHICH FORM AMINO ACID DERIVATIVES HOPE CITY (US) 1999-12-22 EP claimed
US-5807748-A N-terminal protein sequencing reagents and methods which form amino acid detectable by a variety of techniques CITY OF HOPE (US) 1998-09-15 US claimed
EP-0804735-A1 N-TERMINAL PROTEIN SEQUENCING REAGENTS AND METHODS WHICH FORM AMINO ACID DERIVATIVES CITY OF HOPE (US) 1997-11-05 EP claimed
WO-1996002003-A1 N-TERMINAL PROTEIN SEQUENCING REAGENTS AND METHODS WHICH FORM AMINO ACID DERIVATIVES CITY OF HOPE (US) 1996-01-25 WO claimed
EP-3357931-B1 METHODS OF SYNTHESIS OF TRITERPENE PROSAPOGENINS AND TRITERPENE SAPONINS SLOAN KETTERING INST CANCER RES (US) 2020-07-22 EP disclosed
EP-2280987-B1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN KETTERING INST CANCER RES (US) 2018-05-23 EP disclosed
WO-2017178664-A1 IMPROVED PREPARATION OF VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE TYPE 3 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-10-19 WO disclosed
EP-3231810-A1 IMPROVED PREPARATION OF VACCINES AGAINST STREPTOCOCCUS PNEUMONIAE TYPE 3 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-10-18 EP disclosed
US-20170283450-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF MEMORIAL SLOAN-KETTERING INST FOR CANCER RES (US) 2017-10-05 US disclosed
US-9718850-B2 Triterpene saponins, methods of synthesis and uses thereof MEMORIAL SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-08-01 US disclosed
US-9586899-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2017-03-07 US disclosed
US-9586899-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2017-03-07 US disclosed
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-06-17 US disclosed
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-06-17 US disclosed
US-20070015924-A1 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2007-01-18 US disclosed
US-20070015924-A1 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2007-01-18 US 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-5807748-A N-terminal protein sequencing reagents and methods which form amino acid detectable by a variety of techniques CITY OF HOPE (US) 1998-09-15 US disclosed
EP-0804735-A1 N-TERMINAL PROTEIN SEQUENCING REAGENTS AND METHODS WHICH FORM AMINO ACID DERIVATIVES CITY OF HOPE (US) 1997-11-05 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