SCHEMBL28633964

SCHEMBL28633964

CCC(C)(C)OOC(C)(C)CC(C)/C(C(=O)O)=C(\C(=O)O)C(C)CC(C)(C)OOC(C)(C)CC

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL8616134 0.86 TSHR (0.32) TSHRTDP1
SCHEMBL8616131 0.86 TSHR (0.32) TSHRTDP1
SCHEMBL28350302 0.76
SCHEMBL23160710 0.74
SCHEMBL23160711 0.74
Acetic Acid SCHEMBL29229984 0.74 TSHR (0.41) ALDH1A1TSHRTDP1
SCHEMBL6534621 0.73 ALDH1A1 (0.30) ALDH1A1TSHRTDP1
SCHEMBL29022963 0.73
SCHEMBL4733448 0.73
SCHEMBL4733444 0.73

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-110088233-B Effective curing agents for free-radical crosslinkable polymers 阿科玛股份有限公司 2021-09-21 CN disclosed