SCHEMBL2005845

SCHEMBL2005845

CCCCCCCCCc1ccc(O)c(CN(C)CC(=O)O)c1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 3/20 0.56
PPARA Q07869 3/20 0.52
ALDH1A1 P00352 2/20 0.46
BCHE P06276 1/20 0.45
EP300 Q09472 1/20 0.44
KAT5 Q92993 1/20 0.44
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
STAT3 P40763 1/20 0.43
PPARG P37231 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ESR1 P03372 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL29634826 0.99 KAT8 (0.57) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL30624 0.99 KAT8 (0.57) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL28055831 0.97 KAT8 (0.56) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL8596017 0.87 KAT8 (0.58) KAT8PPARAALDH1A1BCHEEP300
Potassium Ion SCHEMBL7928665 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL30206997 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
Lithium Ion SCHEMBL7919579 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL7928563 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL536515 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300
SCHEMBL7925730 0.86 KAT8 (0.51) KAT8PPARAALDH1A1BCHEEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941237-B2 Storage stable foamable compositions containing 1,1,1,4,4,4-hexafluoro-2-butene HONEYWELL INTERNATIONAL INC. (US) 2021-03-09 US claimed
US-20190136005-A1 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME HONEYWELL INTERNATIONAL INC. 2019-05-09 US claimed
US-20190085115-A1 STORAGE STABLE FOAMABLE COMPOSITIONS CONTAINING 1,1,1,4,4,4-HEXAFLUORO-2-BUTENE SOLSTICE ADVANCED MATERIALS US, INC. 2019-03-21 US claimed
US-20170066867-A1 CATALYSTS FOR POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INTERNATIONAL INC. 2017-03-09 US claimed
US-20150344660-A1 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME HONEYWELL INT INC (US) 2015-12-03 US claimed
US-9051442-B2 Polyurethane foam premixes containing halogenated olefin blowing agents and foams made from same HONEYWELL INTERNATIONAL INC. (US) 2015-06-09 US claimed
EP-2718341-A2 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME Honeywell International Inc. (US) 2014-04-16 EP claimed
US-20120313035-A1 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME HONEYWELL INTERNATIONAL INC. (US) 2012-12-13 US claimed
WO-2012170912-A2 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME HONEYWELL INTERNATIONAL INC. (US) 2012-12-13 WO claimed
US-20120248371-A1 Catalysts For Polyurethane Foam Polyol Premixes Containing Halogenated Olefin Blowing Agents HONEYWELL INTERNATIONAL INC. (US) 2012-10-04 US claimed
WO-2012115936-A2 CATALYSTS FOR POLYURETHANE FOAM POLYOL PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS HONEYWELL INTERNATIONAL INC. (US) 2012-08-30 WO claimed
WO-2012115929-A2 POLYURETHANE FOAM PREMIXES CONTAINING HALOGENATED OLEFIN BLOWING AGENTS AND FOAMS MADE FROM SAME HONEYWELL INTERNATIONAL INC. (US) 2012-08-30 WO claimed
US-20120220677-A1 Polyurethane Foam Premixes Containing Halogenated Olefin Blowing Agents And Foams Made From Same HONEYWELL INTERNATIONAL INC. (US) 2012-08-30 US 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-0445837-B1 Crosslinkable polyester/isocyanate compositions suitable for the preparation of composite materials SIR IND SPA (IT) 1997-01-08 EP claimed
EP-0445837-A2 Crosslinkable polyester/isocyanate compositions suitable for the preparation of composite materials Montedison S.p.A. (IT) 1991-09-11 EP claimed
US-4011180-A NOVEL COCATALYST SYSTEM FOR TRIMERIZING POLYISOCYANATES THE UPJOHN COMPANY (US) 1977-03-08 US claimed
US-11958935-B2 Polyurethane insulation foam composition comprising a stabilizing compound HUNTSMAN INTERNATIONAL LLC 2024-04-16 US disclosed
US-4126742-A High-modulus polyisocyanurate elastomers THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-3954684-A QUATERNARY AMMONIUM SALT CATALYSTTRIMERIZATION OF POLYISOCYANATE THE UPJOHN COMPANY (US) 1976-05-04 US disclosed