SCHEMBL3096040

SCHEMBL3096040

C1CNC(CSSCC2NCCN2)N1

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
SCHEMBL10378156 0.67 CYP2D6 (0.30)
SCHEMBL9575649 0.67 CYP2D6 (0.30)
SCHEMBL2007454 0.62
SCHEMBL6220567 0.62
SCHEMBL6220571 0.62
SCHEMBL9572842 0.62
SCHEMBL4540547 0.60
SCHEMBL7025164 0.58
SCHEMBL6223147 0.58
SCHEMBL4719059 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462444-B1 INTERMEDIATE FOR BIOTIN AND PROCESS FOR PRODUCING THE SAME MITSUBISHI TANABE PHARMA CORP (JP) 2009-09-16 EP claimed
US-20050038260-A1 Intermediate for biotin and process for producing the same API CORPORATION (JP) 2005-02-17 US claimed
EP-1462444-A1 INTERMEDIATE FOR BIOTIN AND PROCESS FOR PRODUCING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-09-29 EP claimed
US-7799929-B2 Biotin intermediate and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 2010-09-21 US disclosed
EP-1462444-B1 INTERMEDIATE FOR BIOTIN AND PROCESS FOR PRODUCING THE SAME MITSUBISHI TANABE PHARMA CORP (JP) 2009-09-16 EP disclosed
EP-2098528-A2 Biotin intermediate and process for preparing the same Mitsubishi Tanabe Pharma Corporation (JP) 2009-09-09 EP disclosed
US-20080119655-A1 Biotin intermediate and process for preparing the same SEKI MASAHIKO 2008-05-22 US disclosed
US-7335778-B2 Intermediate for biotin and process for producing the same TANABE SEIYAKU CO., LTD. (JP) 2008-02-26 US disclosed
US-20050038260-A1 Intermediate for biotin and process for producing the same API CORPORATION (JP) 2005-02-17 US disclosed
EP-1462444-A1 INTERMEDIATE FOR BIOTIN AND PROCESS FOR PRODUCING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2004-09-29 EP disclosed