SCHEMBL8580859

SCHEMBL8580859

C=CCOC(=O)CC(C)=O.C=COC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.39
GAA P10253 3/20 0.39
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
EPHX2 P34913 1/20 0.30
LMNA P02545 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
SCHEMBL9513 0.89 TSHR (0.50) TSHRTDP1GAAMGAMSI
SCHEMBL28813485 0.87 MGAM (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2221470 0.87 TSHR (0.48) TSHRTDP1GAAMGAMSI
SCHEMBL1616122 0.87 TSHR (0.48) TSHRTDP1GAAMGAMSI
SCHEMBL5702374 0.87 TSHR (0.48) TSHRTDP1GAAMGAMSI
SCHEMBL5134550 0.87 TSHR (0.48) TSHRTDP1GAAMGAMSI
Acetone SCHEMBL28861611 0.87 TSHR (0.48) TSHRTDP1GAAMGAMSI
SCHEMBL9248234 0.83 TSHR (0.40) TSHRTDP1MAPTCACNA1BAPBA1
Acetoacetic Acid SCHEMBL1318189 0.81 TSHR (0.44) TSHRTDP1GAAMGAMSI
SCHEMBL7052633 0.81 TSHR (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9790328-B2 Polyethercarbonate-polyoxymethylene block copolymers COVESTRO DEUTSCHLAND AG (DE) 2017-10-17 US disclosed
US-20160130407-A1 POLYETHERCARBONATE-POLYOXYMETHYLENE BLOCK COPOLYMERS COVESTRO DEUTSCHLAND AG (DE) 2016-05-12 US disclosed
US-5767199-A WHICH IS ENDBLOCKED ROHM AND HASS COMPANY (US) 1998-06-16 US disclosed
EP-0581466-B1 Compositions containing acetoacetate functional polymer and polyformal ROHM & HAAS (US) 1997-04-16 EP disclosed
EP-0581466-A2 Compositions containing acetoacetate functional polymer and polyformal ROHM AND HAAS COMPANY (US) 1994-02-02 EP disclosed