SCHEMBL2730643

SCHEMBL2730643

C=COCCOC=C(CC)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1476729 0.86 APEX1 (0.34) ALDH1A1
SCHEMBL28246055 0.81 KDM4E (0.31) ALDH1A1TSHR
SCHEMBL246021 0.81 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL11407888 0.78
SCHEMBL4816357 0.78 ATM (0.41) ALDH1A1TSHR
SCHEMBL11407886 0.78
SCHEMBL27043 0.77 FFAR3 (0.35) ALDH1A1TSHR
SCHEMBL27044 0.77 FFAR3 (0.35) ALDH1A1TSHR
SCHEMBL3555075 0.77 FFAR3 (0.35) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL5902492 0.77 LMNA (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013182517-A2 RADIATION CURABLE INKJET INKS AND INDUSTRIAL INKJET PRINTING METHODS AGFA GRAPHICS NV (BE) 2013-12-12 WO disclosed
WO-2012052291-A1 LED CURABLE COMPOSITIONS AGFA-GEVAERT (BE) 2012-04-26 WO disclosed