SCHEMBL435747

SCHEMBL435747

COC(N1CCOCC1)N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
ACHE P22303 1/20 0.34
MGLL Q99685 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
TDP2 O95551 1/20 0.31
KCNA5 P22460 1/20 0.31
KDM1A O60341 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL11326602 0.80
SCHEMBL1276543 0.79 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL6553765 0.78 ALDH1A1 (0.35) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL1855939 0.77 KMT2A (0.39) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL27627751 0.75 ALDH1A1 (0.36) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL18816166 0.75
SCHEMBL10762894 0.74 ALDH1A1 (0.33) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL1461363 0.72 FDPS (0.33) ALDH1A1KMT2ALMNARAB9AMEN1
SCHEMBL18816164 0.72 FDPS (0.33) ALDH1A1KMT2ALMNARAB9AMEN1
SCHEMBL8394291 0.72 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4288476-A1 HFCO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, POLYURETHANE FOAMS FORMED THEREFROM, AND COMPOSITE ARTICLES THAT INCLUDE SUCH FOAMS Covestro LLC (US) 2023-12-13 EP claimed
US-11746180-B2 Catalysts for polyurethane foam polyol premixes containing halogenated olefin blowing agents HONEYWELL INTERNATIONAL INC. (US) 2023-09-05 US claimed
EP-2961782-B1 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME HONEYWELL INT INC (US) 2023-04-05 EP claimed
WO-2022260859-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND FLAME RETARDANT PUR-PIR FOAMS COVESTRO LLC (US) 2022-12-15 WO claimed
US-20220298288-A9 CATALYSTS FOR POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INTERNATIONAL INC. 2022-09-22 US claimed
US-20220195106-A1 CATALYSTS FOR POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INTERNATIONAL INC. (US) 2022-06-23 US claimed
EP-3935096-A1 HCFO-CONTAINING ISOCYANATE-REACTIVE COMPOSITIONS, RELATED FOAM-FORMING COMPOSITIONS AND PUR-PIR FOAMS Covestro LLC (US) 2022-01-12 EP claimed
CN-113784997-A Rigid polyurethane foam suitable for use as a panel insulation material 科思创有限公司 2021-12-10 CN claimed
CN-113748150-A Rigid polyurethane foams suitable for use as board insulation 科思创有限公司 2021-12-03 CN claimed
CN-113557255-A Polyol blends and their use in the production of PUR-PIR foam-forming compositions 科思创有限公司 2021-10-26 CN claimed
US-20110224319-A1 FOAMABLE LOW-VISCOSITY MIXTURES HENKEL AG & CO. KGAA (DE) 2011-09-15 US claimed
WO-2011084563-A2 CATALYSTS FOR POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INTERNATIONAL INC. (US) 2011-07-14 WO claimed
US-20110152392-A1 Catalysts For Polyurethane Foam Polyol Premixes Containing Halogenated Olefin Blowing Agents HONEYWELL INTERNATIONAL INC. (US) 2011-06-23 US claimed
EP-2303941-A2 FOAMABLE LOW-VISCOSITY MIXTURES Henkel AG & Co. KGaA (DE) 2011-04-06 EP claimed
US-20110028640-A1 HARDENABLE COMPOSITIONS BASED ON SILYLATED POLYURETHANES HENKEL AG & CO. KGAA (DE) 2011-02-03 US claimed
EP-2271687-A1 HARDENABLE COMPOSITIONS BASED ON SILYLATED POLYURETHANES Henkel AG & Co. KGaA (DE) 2011-01-12 EP claimed
WO-2010010128-A2 FOAMABLE LOW-VISCOSITY MIXTURES HENKEL AG & CO. KGAA (DE) 2010-01-28 WO claimed
WO-2009133062-A1 HARDENABLE COMPOSITIONS BASED ON SILYLATED POLYURETHANES HENKEL AG & CO. KGAA (DE) 2009-11-05 WO claimed
EP-1689798-A1 PREPOLYMER COMPOSITION LOW IN MONOMERS, MADE OF UNSYMMETRICAL POLYISOCYANATES AND STERICALLY HINDERED POLYOLS RATHOR AG (CH) 2006-08-16 EP claimed
WO-2005054324-A1 PREPOLYMER COMPOSITION LOW IN MONOMERS, MADE OF UNSYMMETRICAL POLYISOCYANATES AND STERICALLY HINDERED POLYOLS RATHOR AG (CH) 2005-06-16 WO claimed