⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7053475 | 0.80 | — | — | |
| SCHEMBL20341172 | 0.77 | — | — | |
| SCHEMBL3455968 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL18831873 | 0.75 | — | — | |
| SCHEMBL231913 | 0.75 | — | — | |
| SCHEMBL21925349 | 0.74 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL1201246 | 0.73 | — | — | |
| Iodide SCHEMBL1201232 | 0.73 | — | — | |
| Water SCHEMBL919837 | 0.73 | — | — | |
| Bromide SCHEMBL6847199 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023056350-A9 | BIOSYNTHESIS OF CANNABINOIDS AND CANNABINOID PRECURSORS | GINKGO BIOWORKS, INC. (US) | 2024-04-11 | — | — | WO | disclosed |