SCHEMBL3382998

SCHEMBL3382998

O=C(CC1CO1)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 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
SCHEMBL27801804 1.00 PDE4A (0.47) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL28369176 0.76 PDE4A (0.44) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL22551087 0.76 PDE4A (0.44) PDE4ALMNAL3MBTL1TDP1USP2
Fructose SCHEMBL11269912 0.75 TDP1 (0.42) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL3387177 0.74 PDE4A (0.50) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL8502064 0.74 PDE4A (0.46) PDE4ALMNAL3MBTL1TDP1USP2
Fructose SCHEMBL28228489 0.73 TSHR (0.38) PDE4ALMNAL3MBTL1TDP1CYP2C9
Fructose SCHEMBL22551085 0.73 TSHR (0.38) PDE4ALMNAL3MBTL1TDP1CYP2C9
Fructose SCHEMBL1177854 0.73 TSHR (0.38) PDE4ALMNAL3MBTL1TDP1CYP2C9
SCHEMBL9233608 0.72 PDE4A (0.62) PDE4ALMNAL3MBTL1TDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756353-B1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADV MAT SWITZERLAND (CH) 2010-12-01 EP claimed
US-7728067-B2 Acid donors for dyeing polyamide HUNTSMAN INTERNATIONAL LLC (US) 2010-06-01 US claimed
US-20080271260-A1 Acid Donors for Dyeing Polyamide PETER HANS-JORG 2008-11-06 US claimed
EP-1756353-A1 ACID DONORS FOR DYEING POLYAMIDE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2007-02-28 EP claimed
WO-2005106107-A1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2005-11-10 WO claimed
EP-1756353-B1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADV MAT SWITZERLAND (CH) 2010-12-01 EP disclosed
US-7728067-B2 Acid donors for dyeing polyamide HUNTSMAN INTERNATIONAL LLC (US) 2010-06-01 US disclosed
US-20080271260-A1 Acid Donors for Dyeing Polyamide PETER HANS-JORG 2008-11-06 US disclosed
EP-1756353-A1 ACID DONORS FOR DYEING POLYAMIDE Huntsman Advanced Materials (Switzerland) GmbH (CH) 2007-02-28 EP disclosed
WO-2005106107-A1 ACID DONORS FOR DYEING POLYAMIDE HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2005-11-10 WO disclosed