SCHEMBL1728279

SCHEMBL1728279

[CH2]Sc1nc[nH]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
SCHEMBL3804136 0.78
SCHEMBL11089123 0.74
SCHEMBL762994 0.74
SCHEMBL21316634 0.74
SCHEMBL7814837 0.73
SCHEMBL13750213 0.73 ALDH1A1 (0.36)
SCHEMBL4316750 0.72 SMN1; SMN2 (0.37)
SCHEMBL7817837 0.70
SCHEMBL11289113 0.70
SCHEMBL5962515 0.69 KDM4E (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461346-B2 Benzyl amines, a process for their production and their use as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-11 US claimed
US-20120289510-A1 Benzyl Amines, A Process For Their Production And Their Use As Anti-Inflammtory Agents ASTRAZENECA AB (SE) 2012-11-15 US claimed
WO-2012025578-A3 AN APPLICATOR FOR APPLYING A COSMETIC COMPOSITION AND A COSMETIC PACKAGING INCLUDING SUCH AN APPLICATOR ALBEA SERVICES (FR) 2012-05-10 WO claimed
US-8173676-B2 Benzyl, amines, a process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-05-08 US claimed
EP-2041069-B1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Pharma AG (DE) 2011-11-30 EP claimed
US-7999108-B2 Benzyl amines, a process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AG (DE) 2011-08-16 US claimed
US-20080032986-A1 BENZYL AMINES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-07 US claimed
EP-1878717-A1 Benzyl amines, a process for their production and their use as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-16 EP claimed
US-5494666-A BETA-LACTAMASE INHIBITORS, ANTIBACTERIALS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US claimed
EP-0671401-A1 Beta lactames F. HOFFMANN-LA ROCHE AG (CH) 1995-09-13 EP claimed
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 EP claimed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US claimed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP claimed
US-8461346-B2 Benzyl amines, a process for their production and their use as anti-inflammatory agents BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-11 US disclosed
US-20120289510-A1 Benzyl Amines, A Process For Their Production And Their Use As Anti-Inflammtory Agents ASTRAZENECA AB (SE) 2012-11-15 US disclosed
WO-2012025578-A3 AN APPLICATOR FOR APPLYING A COSMETIC COMPOSITION AND A COSMETIC PACKAGING INCLUDING SUCH AN APPLICATOR ALBEA SERVICES (FR) 2012-05-10 WO disclosed
US-5439904-A Enzyme inhibitors of human leukocyte elastase; respiratory system disorders; antiarthritic agents SYNPHAR LABORATORIES, INC. (CA) 1995-08-08 US disclosed
WO-1995015966-A1 2-SPIRO(2'-SPIROCYCLOALKYL)CYCLOPROPYL CEPHALOSPORIN SULFONES AS ANTIINFLAMMATORY AND ANTIDEGENERATIVE AGENTS SYNPHAR LABORATORIES, INC. (CA) 1995-06-15 WO disclosed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 US disclosed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP disclosed