SCHEMBL4606590

SCHEMBL4606590

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nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
HPGD P15428 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 2/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CD81 P60033 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
SCHEMBL11029241 0.91 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6710670 0.88 TSHR (0.63) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8382803 0.88 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6266348 0.86 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3793027 0.86 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8009298 0.86 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28544460 0.83 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29897613 0.83 TSHR (0.37) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28106680 0.83 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
Acetic Acid SCHEMBL11743292 0.82 TSHR (0.83) TSHRHPGDALDH1A1TP53HIF1A

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
EP-1036103-B2 MODIFIED POLYURETHANE HOTMELT ADHESIVE HENKEL AG & CO KGAA (DE) 2008-07-16 EP claimed
EP-1036103-B1 MODIFIED POLYURETHANE HOTMELT ADHESIVE HENKEL KGAA (DE) 2002-09-11 EP claimed
JP-2001525429-A 2001-12-11 JP claimed
EP-1036103-A1 MODIFIED POLYURETHANE HOTMELT ADHESIVE Henkel Kommanditgesellschaft auf Aktien (DE) 2000-09-20 EP claimed
WO-1999028363-A1 MODIFIED POLYURETHANE HOTMELT ADHESIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-06-10 WO claimed