SCHEMBL5480087

SCHEMBL5480087

CCCCCC(O)CC#N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.45
TSHR P16473 1/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
NFKB1 P19838 1/20 0.42
PSMD14 O00487 2/20 0.39
PLA2G1B P04054 2/20 0.39
MMP2 P08253 2/20 0.39
ATG4B Q9Y4P1 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RAD52 P43351 1/20 0.39
SPHK1 Q9NYA1 2/20 0.39
LMNA P02545 2/20 0.38
GMNN O75496 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 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
SCHEMBL4977789 0.98 GPR84 (0.48) GPR84TSHRFFAR1FFAR4NFKB1
SCHEMBL2818864 0.98 GPR84 (0.48) GPR84TSHRFFAR1FFAR4NFKB1
SCHEMBL11363078 0.98 GPR84 (0.48) GPR84TSHRFFAR1FFAR4NFKB1
SCHEMBL8402045 0.98 GPR84 (0.48) GPR84TSHRFFAR1FFAR4NFKB1
SCHEMBL3501372 0.98 GPR84 (0.48) GPR84TSHRFFAR1FFAR4NFKB1
SCHEMBL2818859 0.98 GPR84 (0.48) GPR84TSHRFFAR1FFAR4NFKB1
SCHEMBL15153583 0.98 GPR84 (0.48) GPR84TSHRFFAR1FFAR4NFKB1
SCHEMBL3501156 0.93
SCHEMBL875272 0.83
SCHEMBL7901685 0.81 TSHR (0.37) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091011-B2 3-hydroxycarboxylic acid production and use in branched polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-08-15 US claimed
US-20030170837-A1 3-hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-11 US claimed
US-20030166180-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2003-09-04 US claimed
EP-1309715-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. Dupont de Nemours and Company (US) 2003-05-14 EP claimed
US-20020039770-A1 3-Hydroxycarboxylic acid production and use in branched polymers AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2002-04-04 US claimed
WO-2002012530-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-02-14 WO claimed
EP-2943072-A2 METHODS AND COMPOSITIONS FOR AFFECTING THE FLAVOR AND AROMA PROFILE OF CONSUMABLES Impossible Foods Inc. (US) 2015-11-18 EP disclosed
WO-2014110532-A2 METHODS AND COMPOSITIONS FOR AFFECTING THE FLAVOR AND AROMA PROFILE OF CONSUMABLES MARAXI, INC. (US) 2014-07-17 WO disclosed
US-20070004017-A1 3-hydroxycarboxylic acid production and use in branched polymers BRAMUCCI MICHAEL G 2007-01-04 US disclosed
US-7138480-B2 3-Hydroxycarboxylic acid production and use in branched polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-11-21 US disclosed
US-7091011-B2 3-hydroxycarboxylic acid production and use in branched polymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-08-15 US disclosed
EP-1309715-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. Dupont de Nemours and Company (US) 2003-05-14 EP disclosed
US-6562603-B2 Forming hydroxy group containing acid from hydroxy groupcontaining nitrile; polylactones E. I. DU PONT DE NEMOURS AND COMPANY 2003-05-13 US disclosed
WO-2002012530-A2 3-HYDROXYCARBOXYLIC ACID PRODUCTION AND USE IN BRANCHED POLYMERS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2002-02-14 WO disclosed
EP-0001900-B1 9-THIA-12-AZAPROSTANOIC ACID DERIVATIVES AND COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1982-04-07 EP disclosed
US-4260771-A VASODILATORS, ANTICOAGULANTS, IMMUNOLOGY MERCK & CO., INC. (US) 1981-04-07 US disclosed
US-4225609-A Interphenylene 9-thia-11-oxo-12-aza-prostanoic acids MERCK & CO., INC. (US) 1980-09-30 US disclosed
EP-0001900-A1 9-Thia-12-azaprostanoic acid derivatives and compositions containing them MERCK & CO. INC. (US) 1979-05-16 EP disclosed
US-4022794-A VASODILATION MERCK & CO., INC. (US) 1977-05-10 US disclosed