SCHEMBL2158372

SCHEMBL2158372

CSc1cc[n+]([O-])c(C)c1C

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
SCHEMBL8687335 0.70 CA2 (0.37)
SCHEMBL712432 0.70 ALDH1A1 (0.34)
SCHEMBL8915228 0.69
SCHEMBL931102 0.68
SCHEMBL8917405 0.67 MAP2K7 (0.30)
SCHEMBL600123 0.65
SCHEMBL10714896 0.65 BCHE (0.30)
SCHEMBL2991243 0.65 CA1 (0.33)
SCHEMBL3014828 0.63 ALDH1A1 (0.40)
SCHEMBL2158393 0.63 L3MBTL1 (0.33)

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
US-8513427-B2 Compounds for producing substituted sulfoxides, process for producing the same and use thereof MATRIX LABORATORIES LIMITED (IN) 2013-08-20 US claimed
EP-2342193-B1 NOVEL COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF MATRIX LAB LTD (IN) 2013-06-05 EP claimed
US-20110184182-A1 COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF MATRIX LABORATORIES LIMITED (IN) 2011-07-28 US claimed
US-20130231486-A1 COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF MATRIX LABORATORIES LIMITED (IN) 2013-09-05 US disclosed
US-20130231486-A1 COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF MATRIX LABORATORIES LIMITED (IN) 2013-09-05 US disclosed
US-8513427-B2 Compounds for producing substituted sulfoxides, process for producing the same and use thereof MATRIX LABORATORIES LIMITED (IN) 2013-08-20 US disclosed
US-8513427-B2 Compounds for producing substituted sulfoxides, process for producing the same and use thereof MATRIX LABORATORIES LIMITED (IN) 2013-08-20 US disclosed
EP-2342193-B1 NOVEL COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF MATRIX LAB LTD (IN) 2013-06-05 EP disclosed
US-20110184182-A1 COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF MATRIX LABORATORIES LIMITED (IN) 2011-07-28 US disclosed
US-20110184182-A1 COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF MATRIX LABORATORIES LIMITED (IN) 2011-07-28 US disclosed
EP-2342193-A2 NOVEL COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF Matrix Laboratories Limited (IN) 2011-07-13 EP disclosed
WO-2010035283-A2 NOVEL COMPOUNDS FOR PRODUCING SUBSTITUTED SULFOXIDES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF MATRIX LABORATORIES LIMITED (IN) 2010-04-01 WO disclosed