SCHEMBL2552585

SCHEMBL2552585

C=CCOC(=O)CC(=O)CC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 1/20 0.42
GAA P10253 3/20 0.38
MGAM O43451 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
ALDH1A1 P00352 6/20 0.36
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 3/20 0.34
KDM6B O15054 1/20 0.34
KDM5C P41229 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PHF8 Q9UPP1 1/20 0.34

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
SCHEMBL9513 0.90 TSHR (0.50) TSHRTDP1GAAMGAMSI
SCHEMBL4767550 0.89 TSHR (0.48) TSHRTDP1GAAMGAMSI
SCHEMBL1616122 0.88 TSHR (0.48) TSHRTDP1GAAMGAMSI
Acetone SCHEMBL28861611 0.88 TSHR (0.48) TSHRTDP1GAAMGAMSI
SCHEMBL5702374 0.88 TSHR (0.48) TSHRTDP1GAAMGAMSI
SCHEMBL5134550 0.88 TSHR (0.48) TSHRTDP1GAAMGAMSI
SCHEMBL2221470 0.88 TSHR (0.48) TSHRTDP1GAAMGAMSI
Acetoacetic Acid SCHEMBL1318189 0.82 TSHR (0.44) TSHRTDP1GAAMGAMSI
SCHEMBL7052633 0.82 TSHR (0.44) TSHRTDP1GAAMGAMSI
SCHEMBL29129595 0.82 TDP1 (0.49) TSHRTDP1GAAMGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6278001-B1 REACTING TRI-ANION OF ALKYL 3,5-DIOXOHEXANOATE COMPOUND WITH MENTHYL-P-TOLUENESULPHINATE COMPOUND; REDUCTION TO FORM HYDROXYL GROUPS; PROTECTING HYDROXYL GROUPS; REDUCTION OF SULPHOXIDE GROUP; FORMING ALDEHYDE GROUP; WITTIG REACTION L'ORÉAL (FR) 2001-08-21 US claimed
EP-0805800-B1 METHOD FOR PREPARING (+)COMPACTIN AND (+)MEVINOLIN ANALOG COMPOUNDS HAVING A BETA-HYDROXY-DELTA-LACTONE GROUPING OREAL (FR) 2001-03-14 EP claimed
EP-2553145-B1 ETCH RESISTANT ALUMINA BASED COATINGS PIBOND OY (FI) 2022-09-21 EP disclosed
US-20170200615-A1 ETCH RESISTANT ALUMINA BASED COATINGS PIBOND (ZHEJIANG) NEW MATERIALS CO., LTD (CN) 2017-07-13 US disclosed
US-9564339-B2 Etch resistant alumina based coatings PIBOND OY (FI) 2017-02-07 US disclosed
US-20130143408-A1 ETCH RESISTANT ALUMINA BASED COATINGS SILECS OY (FI) 2013-06-06 US disclosed
EP-2553145-A1 ETCH RESISTANT ALUMINA BASED COATINGS Silecs OY (FI) 2013-02-06 EP disclosed
WO-2011121166-A1 ETCH RESISTANT ALUMINA BASED COATINGS SILECS OY (FI) 2011-10-06 WO disclosed
US-6278001-B1 REACTING TRI-ANION OF ALKYL 3,5-DIOXOHEXANOATE COMPOUND WITH MENTHYL-P-TOLUENESULPHINATE COMPOUND; REDUCTION TO FORM HYDROXYL GROUPS; PROTECTING HYDROXYL GROUPS; REDUCTION OF SULPHOXIDE GROUP; FORMING ALDEHYDE GROUP; WITTIG REACTION L'ORÉAL (FR) 2001-08-21 US disclosed