SCHEMBL7644159

SCHEMBL7644159

C=CC(OC(C)=O)OC(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 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
SCHEMBL10871045 0.88 ALDH1A1 (0.39) ALDH1A1TSHRTHRB
SCHEMBL23161207 0.88 TSHR (0.36) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL992095 0.87 TSHR (0.46) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL10871051 0.86 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL3356298 0.85 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL11576486 0.84 ALDH1A1 (0.37) ALDH1A1TSHRTDP1
SCHEMBL2203797 0.83 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
SCHEMBL27771712 0.82 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL6060742 0.82 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL11127996 0.81 ALDH1A1 (0.34) ALDH1A1TSHR

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
US-6455033-B1 ANTIMICROBIAL COMPOSITION; POLYMERIZABLE ACRYLIC MONOMERS; POLYMERIZATION CATALYSTS; MYCONE DENTAL CORP. 2002-09-24 US claimed
WO-2023054029-A1 COVER FILM 富士フイルム株式会社 2023-04-06 WO disclosed