SCHEMBL29108639

SCHEMBL29108639

CC(C)(C)OP(Oc1ccc(C(C)(C)C)c(C(C)(C)C)c1)Oc1ccc(C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ESRRA P11474 1/20 0.31
▸ GAA P10253 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
SCHEMBL1881756 0.88 CA1 (0.38) ALDH1A1CA1CA2ESRRAGAA
SCHEMBL30371668 0.81 CA2 (0.39) ALDH1A1CA1CA2ESRRAGAA
SCHEMBL28413644 0.77 CA2 (0.39) ALDH1A1CA1CA2ESRRAGAA
SCHEMBL5478427 0.75 GAA (0.36) GAA
SCHEMBL13474892 0.73 ESRRA (0.49) ALDH1A1CA1CA2ESRRAGAA
SCHEMBL1159876 0.73 ALDH1A1 (0.35) ALDH1A1CA1CA2ESRRAGAA
SCHEMBL25198885 0.72 ACHE (0.41) ALDH1A1CA1CA2
SCHEMBL28440086 0.72 ALDH1A1 (0.57) ALDH1A1CA1CA2ESRRAGAA
SCHEMBL10320491 0.71 CA1 (0.56) ALDH1A1CA1CA2GAA
Hydrochloric Acid SCHEMBL28446174 0.71 ACHE (0.39) ALDH1A1CA1CA2

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-117083362-A Hot melt adhesive composition and laminate 东洋纺MC株式会社 2023-11-17 — — CN disclosed
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