SCHEMBL5599446

SCHEMBL5599446

CC(O)C(O)COCC(O)CO

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
KDM4E B2RXH2 3/20 0.37
LMNA P02545 4/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 2/20 0.33
AGTR1 P30556 1/20 0.33
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
THRB P10828 1/20 0.31

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
Isopropyl Alcohol SCHEMBL7787253 0.85 USP2 (0.52) USP2KDM4ELMNAALDH1A1TDP1
Isobutane SCHEMBL27997158 0.85 USP2 (0.52) USP2KDM4ELMNAALDH1A1TDP1
SCHEMBL6249798 0.84 LMNA (0.50) USP2KDM4ELMNAALDH1A1HSD17B10
SCHEMBL8884307 0.84 HSD17B10 (0.38) KDM4ELMNAALDH1A1TDP1HSD17B10
Propylene Glycol SCHEMBL2236346 0.82 TDP1 (0.56) USP2KDM4ELMNAALDH1A1TDP1
Ethane SCHEMBL2303498 0.82 USP2 (0.54) USP2KDM4ELMNAALDH1A1TDP1
Methyl Alcohol SCHEMBL27869223 0.82 USP2 (0.54) USP2KDM4ELMNAALDH1A1TDP1
SCHEMBL28081523 0.82 USP2 (0.48) USP2KDM4ELMNAALDH1A1HSD17B10
SCHEMBL1638881 0.82 LMNA (0.53) USP2KDM4ELMNAALDH1A1TDP1
SCHEMBL30754 0.82 LMNA (0.53) USP2KDM4ELMNAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355986-B1 POLYESTER COMPOSITIONS OF LOW RESIDUAL ALDEHYDE CONTENT CIBA SC HOLDING AG (CH) 2007-01-24 EP disclosed
EP-1440117-B1 POLYESTER AND POLYAMIDE COMPOSITIONS OF LOW RESIDUAL ALDEHYDE CONTENT CIBA SC HOLDING AG (CH) 2006-12-27 EP disclosed
US-7138457-B2 Polyester compositions of low residual aldehyde content CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-11-21 US disclosed
US-20050176859-A1 Polyester and polyamide compositions of low residual aldehyde content TINKL MICHAEL (CH) 2005-08-11 US disclosed
EP-1421141-B1 POLYESTER COMPOSITIONS OF LOW RESIDUAL ALDEHYDE CONTENT CIBA SC HOLDING AG (CH) 2005-03-09 EP disclosed
US-20040176539-A1 Polyester compositions of low residual aldehyde content CIBA SPECIALTY CHEMICALS CORP. 2004-09-09 US disclosed