SCHEMBL8522169

SCHEMBL8522169

C=CCC(O)(CC=C)CC=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL6048123 0.85 TSHR (0.38) ALDH1A1TSHR
SCHEMBL9135714 0.78
SCHEMBL9580864 0.74
SCHEMBL10955142 0.73 TSHR (0.33) TSHR
SCHEMBL4561795 0.72
SCHEMBL1420315 0.71
SCHEMBL30966598 0.71
SCHEMBL29543822 0.71
SCHEMBL9238628 0.71 TSHR (0.39) TSHR
SCHEMBL17162528 0.69

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405271-A1 Process for the production 1,3-dioxolane and 1,3-dioxane derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-02 EP claimed
JP-11335362-A None JP disclosed
JP-H11335362-A PRODUCTION OF OXETANONE MITSUBISHI GAS CHEM CO INC 1999-12-07 JP disclosed