SCHEMBL1732306

SCHEMBL1732306

CCC(C)(C)C(C)(C)NC(=N)N

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
Trifluoromethanesulfonic Acid SCHEMBL2834625 0.84
SCHEMBL28529701 0.82 ALDH1A1 (0.31)
SCHEMBL28791182 0.79 SPHK2 (0.34)
SCHEMBL31046458 0.77
SCHEMBL28530657 0.76 SPHK2 (0.41)
SCHEMBL12091710 0.75 NOS1 (0.31)
SCHEMBL21743333 0.75
SCHEMBL25289535 0.74
SCHEMBL24703450 0.74 NOS1 (0.33)
SCHEMBL28141478 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984438-B2 ANTISTATIC POLYURETHANE BASF SE (DE) 2016-05-18 EP claimed
US-20150057388-A1 ANTISTATIC POLYURETHANE BASF SE (DE) 2015-02-26 US claimed
EP-1812382-B1 METHOD FOR PRODUCING POLYISOCYANATES BASF SE (DE) 2013-01-23 EP claimed
WO-2012130803-A1 METHOD FOR SEPARATING OFF HALOGENS FROM MIXTURES OF MATTER BAYER TECHNOLOGY SERVICES GMBH (DE) 2012-10-04 WO claimed
JP-4794561-B2 2011-10-19 JP claimed
EP-1984438-B1 ANTISTATIC POLYURETHANE BASF SE (DE) 2010-03-31 EP claimed
US-7659430-B2 Method for separating hydrogen chloride and phosgene BASF AKTIENGESELLSCHAFT (DE) 2010-02-09 US claimed
US-20090300946-A1 ANTISTATIC POLYURETHANE BASF SE (DE) 2009-12-10 US claimed
EP-1789160-B1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF SE (DE) 2009-11-18 EP claimed
US-20090112017-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESSELLSCHAFT (DE) 2009-04-30 US claimed
EP-1984438-A1 ANTISTATIC POLYURETHANE BASF SE (DE) 2008-10-29 EP claimed
US-20070293707-A1 Method for Separating Hydrogen Chloride and Phosgene BASF AKTIENGESELLSCHAFT (DE) 2007-12-20 US claimed
CN-101056848-A Process for preparing polyisocyanates BASF AG (DE) 2007-10-17 CN claimed
WO-2007090755-A1 ANTISTATIC POLYURETHANE BASF AKTIENGESELLSCHAFT (DE) 2007-08-16 WO claimed
EP-1812382-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2007-08-01 EP claimed
EP-1789160-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2007-05-30 EP claimed
WO-2006048171-A1 METHOD FOR PRODUCING POLYISOCYANATES BASF AKTIENGESELLSCHAFT (DE) 2006-05-11 WO claimed
EP-1651704-A1 COATING COMPOSITIONS CONTAINING AMINOFUNCTIONAL SILICONE RESINS Dow Corning Corporation (US) 2006-05-03 EP claimed
WO-2006029788-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2006-03-23 WO claimed
WO-2005010078-A1 COATING COMPOSITIONS CONTAINING AMINOFUNCTIONAL SILICONE RESINS DOW CORNING CORPORATION (US) 2005-02-03 WO claimed