⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29833818 | 0.87 | — | — | |
| SCHEMBL18639365 | 0.77 | ADRB2 (0.38) | — | |
| SCHEMBL891630 | 0.76 | — | — | |
| SCHEMBL13292089 | 0.75 | CYP4F2 (0.35) | — | |
| SCHEMBL9747541 | 0.75 | — | — | |
| SCHEMBL9480491 | 0.75 | CA1 (0.30) | — | |
| SCHEMBL7929582 | 0.73 | THRB (0.38) | — | |
| SCHEMBL9749681 | 0.71 | — | — | |
| SCHEMBL11911424 | 0.70 | — | — | |
| SCHEMBL18833266 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5208352-A | Process for preparing the R- and S-isomers of 2-hydroxy-methyl-2-octadecyloxymethyl-tetrahydrofuran and their use in preparing stereoisomers of pharmacologically active compounds | SANDOZ LTD. (CH) | 1993-05-04 | — | — | US | disclosed |