⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21757724 | 1.00 | — | — | |
| SCHEMBL22198336 | 0.71 | TDP1 (0.33) | — | |
| SCHEMBL22476004 | 0.70 | — | — | |
| SCHEMBL14566784 | 0.67 | — | — | |
| SCHEMBL16795489 | 0.65 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL16795480 | 0.65 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL19440102 | 0.64 | — | — | |
| SCHEMBL12357508 | 0.64 | — | — | |
| SCHEMBL18866512 | 0.61 | NOS3 (0.33) | — | |
| SCHEMBL3910054 | 0.59 | — | — |
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 |