SCHEMBL28623285

SCHEMBL28623285

CC(C)(C)CCCC(=O)OOOC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL29525594 0.94 TSHR (0.31) TSHRALDH1A1HSD17B10TDP1
SCHEMBL125563 0.93 DGKA (0.32) TSHRALDH1A1HSD17B10TDP1
SCHEMBL8369154 0.88 TSHR (0.34) TSHRALDH1A1HSD17B10TDP1
SCHEMBL442266 0.88 ALDH1A1 (0.33) TSHRALDH1A1HSD17B10TDP1
SCHEMBL8031597 0.88 TSHR (0.42) TSHRALDH1A1HSD17B10TDP1
SCHEMBL1845580 0.88 TSHR (0.37) TSHRALDH1A1HSD17B10TDP1
SCHEMBL679714 0.86 DGKA (0.38) TSHRALDH1A1HSD17B10TDP1
SCHEMBL491916 0.86 DGKA (0.38) TSHRALDH1A1HSD17B10TDP1
SCHEMBL5494897 0.85
SCHEMBL8032017 0.83 TSHR (0.38) TSHRALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302734-A Curable composition and cured product 可舒磨润滑油株式会社 2021-08-24 CN disclosed