⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12575200 | 0.85 | — | — | |
| SCHEMBL22668746 | 0.72 | CYP1A2 (0.47) | — | |
| SCHEMBL22627202 | 0.71 | CYP1A2 (0.48) | — | |
| SCHEMBL26082777 | 0.70 | — | — | |
| SCHEMBL24743820 | 0.69 | — | — | |
| SCHEMBL22883611 | 0.69 | — | — | |
| SCHEMBL12575129 | 0.69 | LSS (0.31) | — | |
| SCHEMBL23542868 | 0.69 | MAPT (0.32) | — | |
| SCHEMBL1515258 | 0.67 | HRH3 (0.41) | — | |
| SCHEMBL26242235 | 0.66 | CYP1A2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3066102-B1 | MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B | EISAI R&D MAN CO LTD (JP) | 2020-02-26 | — | — | EP | disclosed |