SCHEMBL24088542

SCHEMBL24088542

CCCCC(CC)COCC(COc1ccccc1)OC(C)(C)COC(C)(C)C(C)(C)C(C)OC(C)(C)N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 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
SCHEMBL22061020 0.84 ALDH1A1 (0.38) CYP3A4CA2ALDH1A1LMNA
SCHEMBL24090351 0.84 CYP3A4 (0.32) CYP3A4CA2ALDH1A1LMNA
SCHEMBL24090677 0.81 ALDH1A1 (0.37) CYP3A4CA2ALDH1A1LMNA
SCHEMBL24090581 0.75 ALDH1A1 (0.44) CYP3A4CA2ALDH1A1LMNA
SCHEMBL24088490 0.74 CYP3A4 (0.31) CYP3A4CA2ALDH1A1
SCHEMBL27411723 0.73 CYP3A4 (0.32) CYP3A4CA2ALDH1A1LMNA
SCHEMBL26802641 0.69 ALDH1A1 (0.40) CYP3A4CA2ALDH1A1LMNA
SCHEMBL4913490 0.69 ALDH1A1 (0.54) CYP3A4CA2ALDH1A1LMNA
SCHEMBL27411557 0.68 LMNA (0.46) CYP3A4CA2ALDH1A1LMNA
SCHEMBL27411577 0.68 CYP3A4 (0.39) CYP3A4CA2ALDH1A1LMNA

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
US-12018388-B2 Oxyalkylated surfactants as corrosion inhibitors ECOLAB USA INC. (US) 2024-06-25 — — US disclosed
US-20210381114-A1 OXYALKYLATED SURFACTANTS AS CORROSION INHIBITORS ECOLAB USA INC. 2021-12-09 — — US disclosed
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