Sugi Predict

Sugi Predict / Compounds / Dodecanoate

Dodecanoate

Dodecanoate

SCHEMBL28628262

CCCCCCCCCCC(CCCC)(CCCC)C(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Zn+2]

nearest known ligand 0.62

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 7/20 0.53
▸ CA1 P00915 1/20 0.50
▸ CES2 O00748 4/20 0.47
▸ CES1 P23141 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.43

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
Zinc Ion SCHEMBL5681976 0.98 FABP3 (0.55) FABP3CA1CES2CES1ALDH1A1
Dodecanoate SCHEMBL5710745 0.96 FABP3 (0.53) FABP3CA1CES2CES1ALDH1A1
Zinc Ion SCHEMBL7513744 0.91 CES2 (0.44) CES2CES1ALDH1A1TSHR
SCHEMBL629311 0.88 FABP3 (0.51) FABP3CA1CES2CES1
SCHEMBL7453680 0.87 CES2 (0.44) CES2CES1ALDH1A1TSHR
SCHEMBL8159768 0.87 CES2 (0.44) CES2CES1ALDH1A1TSHR
SCHEMBL28422203 0.87 CES2 (0.44) CES2CES1ALDH1A1TSHR
SCHEMBL28892687 0.87 CES2 (0.44) CES2CES1ALDH1A1TSHR
SCHEMBL2961320 0.87 CES2 (0.44) CES2CES1ALDH1A1TSHR
SCHEMBL10916442 0.87 CES2 (0.44) CES2CES1ALDH1A1TSHR

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-113272299-B Moisture-curable polyurethane compositions comprising oxazolidines SIKA技术股份公司 2023-07-07 — — CN disclosed
CN-113272299-A Moisture-curing polyurethane composition comprising oxazolidine SIKA技术股份公司 2021-08-17 — — CN disclosed