Sugi Predict

Sugi Predict / Compounds / SCHEMBL30632580

SCHEMBL30632580

SCHEMBL30632580

CC(C)CCC(C)(O)C(=O)O.CC(C)COC(=O)C(C)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.34
▸ TET2 Q6N021 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ BLM P54132 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
SCHEMBL29619451 0.87 TET2 (0.34) TET2ALDH1A1ACACBACACABLM
SCHEMBL2033747 0.82 TET2 (0.41) TSHRTET2ALDH1A1ACACBACACA
SCHEMBL6215006 0.78 TSHR (0.50) TSHRALDH1A1
SCHEMBL767015 0.78 TSHR (0.50) TSHRALDH1A1
SCHEMBL2896520 0.78 TSHR (0.50) TSHRALDH1A1
Ethylene SCHEMBL27534544 0.73 TSHR (0.52) TSHRALDH1A1
Alcohol SCHEMBL6178855 0.72 TSHR (0.45) TSHRALDH1A1
SCHEMBL30090581 0.71 TET2 (0.35) TSHRTET2ALDH1A1
SCHEMBL30924919 0.70 TET2 (0.37) TSHRTET2ALDH1A1
SCHEMBL361870 0.70 TET2 (0.37) TSHRTET2ALDH1A1

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
CN-117089418-A Substrate treatment composition and substrate treatment method using same SK株式会社 2023-11-21 — — CN disclosed
CN-117025316-A Substrate treatment composition and substrate treatment method using same SK株式会社 2023-11-10 — — CN disclosed