⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22476005 | 1.00 | — | — | |
| SCHEMBL7041852 | 0.69 | — | — | |
| SCHEMBL22198336 | 0.65 | TDP1 (0.33) | — | |
| SCHEMBL20117452 | 0.63 | — | — | |
| SCHEMBL18912714 | 0.63 | — | — | |
| Butadiene Epoxide SCHEMBL335040 | 0.62 | — | — | |
| Butadiene Epoxide SCHEMBL39877 | 0.62 | — | — | |
| SCHEMBL6048377 | 0.61 | — | — | |
| Butadiene Epoxide SCHEMBL10496505 | 0.60 | — | — | |
| SCHEMBL1559778 | 0.60 | TDP1 (0.93) | — |
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-3689881-A1 | MACROCYCLIZATION REACTIONS AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANALOGS OF HALICHONDRIN B | Eisai R&D Management Co., Ltd. (JP) | 2020-08-05 | — | — | EP | disclosed |