SCHEMBL31325980

SCHEMBL31325980

CC(C)(C)OC(=O)CCOCC#CCO

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31

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
SCHEMBL25092225 0.82 CTSK (0.31)
SCHEMBL19600003 0.81 CTSK (0.30)
SCHEMBL31325992 0.80 TSHR (0.44)
SCHEMBL17946906 0.80
SCHEMBL18843254 0.79 TSHR (0.47)
SCHEMBL31325988 0.77 CYP1A2 (0.40) EPHX2
SCHEMBL5735427 0.77 STING1 (0.37) EPHX2
SCHEMBL5737163 0.77 STING1 (0.37) EPHX2
SCHEMBL18843243 0.77 STING1 (0.37) EPHX2
SCHEMBL1536707 0.77 STING1 (0.37) EPHX2

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
WO-2025016798-A1 3-[2-(2-OXO-1,3-DIOXOLAN-4-YLIDENE)ETHOXY]PROPANOIC ACID DERIVATIVES AS PRECURSORS OF MONOMERS IN POLYMERISATIONS BASF SE (DE) 2025-01-23 WO disclosed
WO-2025016796-A1 3-(4-HYDROXYBUT-2-YNOXY)PROPANOIC ACID ESTER, AMIDE AND NITRILE DERIVATIVES AS CORROSION PROTECTION AGENTS BASF SE (DE) 2025-01-23 WO disclosed