SCHEMBL1086791

SCHEMBL1086791

CCCCC(CC)CC(CC(CC)CCCC)(OP(=O)(O)O)C(CC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FDPS P14324 3/20 0.41
SMPD1 P17405 6/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
CA2 P00918 3/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL202303 0.85 FDPS (0.47) CYP3A4L3MBTL1FDPSSMPD1
SCHEMBL7889508 0.85 CYP3A4 (0.42) CYP3A4L3MBTL1FDPSSMPD1ALDH1A1
SCHEMBL28560692 0.84 FDPS (0.46) CYP3A4L3MBTL1FDPSSMPD1
SCHEMBL9329673 0.83 FDPS (0.45) CYP3A4L3MBTL1FDPSSMPD1
SCHEMBL9657893 0.80 SMPD1 (0.54) FDPSSMPD1
SCHEMBL9659806 0.80 SMPD1 (0.54) FDPSSMPD1
SCHEMBL9657909 0.80 SMPD1 (0.54) FDPSSMPD1
SCHEMBL27511110 0.80 CYP3A4 (0.46) CYP3A4L3MBTL1FDPSSMPD1ALDH1A1
SCHEMBL29213164 0.80 FDPS (0.53) FDPSSMPD1
SCHEMBL11337311 0.79 FDPS (0.46) CYP3A4L3MBTL1FDPSSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1038900-B1 Double metal cyanide catalysts for the production of polyetherpolyols BAYER MATERIALSCIENCE AG (DE) 2004-07-14 EP claimed
US-6468939-B1 ESTERS OF PHOSPHORIC ACID, PHOSPHOROUS ACID, PHOSPHONIC ACID, PHOSPHONOUS ACID, PHOSPHINIC ACID OR PHOSPHINOUS ACID; COMPLEXING LIGANDS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-22 US claimed
EP-0278662-A2 Organo-phosphorous energy transfer agents MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-08-17 EP claimed
EP-3387035-B1 POLYURETHANE FOAMS BASED ON POLYETHER CARBONATE POLYOLS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2022-05-04 EP disclosed
US-20140296404-A1 CROSSLINKABLE RUBBER COMPOSITION AND CROSS-LINKED RUBBER ZEON CORP (JP) 2014-10-02 US disclosed
US-8785530-B2 Crosslinkable rubber composition and cross-linked rubber ZEON CORPORATION (JP) 2014-07-22 US disclosed
US-20130102725-A1 CROSSLINKABLE RUBBER COMPOSITION AND CROSS-LINKED RUBBER ZEON CORPORATION (JP) 2013-04-25 US disclosed
US-8362121-B2 Crosslinkable rubber composition and cross-linked rubber ZEON CORPORATION (JP) 2013-01-29 US disclosed
EP-1964882-B1 CROSSLINKABLE RUBBER COMPOSITION AND RUBBER CROSSLINKED PRODUCT ZEON CORP (JP) 2012-07-18 EP disclosed
US-20120172509-A1 CROSSLINKABLE RUBBER COMPOSITION AND CROSS-LINKED RUBBER NAGAMORI HIROYASU (JP) 2012-07-05 US disclosed
US-8153712-B2 Crosslinkable rubber composition and cross-linked rubber ZEON CORPORATION (JP) 2012-04-10 US disclosed
US-20100168302-A1 Crosslinkable Rubber Composition and Cross-Linked Rubber ZEON CORPORATION (JP) 2010-07-01 US disclosed
US-20100009137-A1 COMPOSITION FOR IMPRINTS, PATTERN AND PATTERNING METHOD FUJIFILM CORPORATION (JP) 2010-01-14 US disclosed
EP-1964882-A1 CROSSLINKABLE RUBBER COMPOSITION AND RUBBER CROSSLINKED PRODUCT ZEON CORPORATION (JP) 2008-09-03 EP disclosed
US-6919293-B1 Double metal cyanide catalysts for producing polyether polyols BAYER AKTIENGESELLSCHAFT (DE) 2005-07-19 US disclosed
US-6468939-B1 ESTERS OF PHOSPHORIC ACID, PHOSPHOROUS ACID, PHOSPHONIC ACID, PHOSPHONOUS ACID, PHOSPHINIC ACID OR PHOSPHINOUS ACID; COMPLEXING LIGANDS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed