⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11110589 | 0.81 | — | — | |
| SCHEMBL12686500 | 0.78 | — | — | |
| SCHEMBL3724241 | 0.78 | — | — | |
| SCHEMBL19774862 | 0.78 | — | — | |
| SCHEMBL24481534 | 0.77 | — | — | |
| SCHEMBL22198093 | 0.76 | — | — | |
| SCHEMBL14290963 | 0.76 | — | — | |
| SCHEMBL24112576 | 0.75 | GRIK1 (0.32) | — | |
| SCHEMBL28370266 | 0.72 | — | — | |
| SCHEMBL21864687 | 0.72 | ALDH1A1 (0.32) | — |
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-2020237169-A1 | SEMI-SYNTHETIC ANALOGUES OF EPIPOLYTHIODIOXOPIPERAZINE ALKALOIDS | OHIO STATE INNOVATION FOUNDATION (US) | 2020-11-26 | — | — | WO | disclosed |