SCHEMBL5397984

SCHEMBL5397984

[C]1[CH][CH]CCCC1

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
SCHEMBL5408838 0.90
SCHEMBL180754 0.67
SCHEMBL1673036 0.65
SCHEMBL2231137 0.65
SCHEMBL1672487 0.65
SCHEMBL1673265 0.65
SCHEMBL2232076 0.65
SCHEMBL1673263 0.65
SCHEMBL2230626 0.65
SCHEMBL977268 0.62

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-7183325-B2 Deforming agent and/or deaerating agent based on oil-in-water dispersions BASF AKTIENGESELLSCHAFT (DE) 2007-02-27 US disclosed
US-7071275-B2 Polyisobutene and polyisobutene derivatives for use in lubricant compositions BASF AKTIENGESELLSCHAFT (DE) 2006-07-04 US disclosed
EP-1458770-B1 POLYISOBUTENES AND POLYISOBUTENE DERIVATIVES FOR USE IN LUBRICANT COMPOSITIONS BASF AG (DE) 2006-06-14 EP disclosed
EP-1397188-B1 DEFOAMING AGENT AND/OR DEAERATING AGENT BASED ON OIL-IN-WATER DISPERSIONS BASF AG (DE) 2005-09-14 EP disclosed
US-6903221-B2 Method for producing β-ketoenol esters BASF AKTIENGESELLSCHAFT (DE) 2005-06-07 US disclosed
US-20050009998-A1 Polyisobutene and polyisobutene derivatives for use in lubricant compositions BASF AKTIENGESELLSCHAFT (DE) 2005-01-13 US disclosed
EP-1458770-A1 POLYISOBUTENE AND POLYISOBUTENE DERIVATIVES FOR USE IN LUBRICANT COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2004-09-22 EP disclosed
US-20040176480-A1 Defoaming agent and/or deaerating agent based on oil-in-water dispersions BASF AKTIENGESELLSCHAFT (DE) 2004-09-09 US disclosed
US-20030191318-A1 Method for producing beta ketoenol esters BASF AKTIENGESELLSCHAFT (DE) 2003-10-09 US disclosed
WO-2003051932-A1 POLYISOBUTENE AND POLYISOBUTENE DERIVATIVES FOR USE IN LUBRICANT COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 2003-06-26 WO disclosed
EP-1311469-A1 METHOD FOR PRODUCING BETA- KETOENOL ESTERS BASF AKTIENGESELLSCHAFT (DE) 2003-05-21 EP disclosed
WO-2002016305-A1 METHOD FOR PRODUCING β KETOENOL ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-02-28 WO disclosed