⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9461132 | 1.00 | — | — | |
| SCHEMBL9622125 | 1.00 | — | — | |
| SCHEMBL10038584 | 1.00 | — | — | |
| SCHEMBL14403629 | 1.00 | — | — | |
| SCHEMBL13321423 | 0.98 | — | — | |
| SCHEMBL13300885 | 0.98 | — | — | |
| SCHEMBL14232677 | 0.81 | CA2 (0.33) | — | |
| SCHEMBL10099916 | 0.81 | CA2 (0.33) | — | |
| SCHEMBL13825709 | 0.79 | MGAM (0.40) | — | |
| SCHEMBL10100000 | 0.79 | MGAM (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2522663-A1 | Intermediates for the preparation of halichondrin B | Eisai R&D Management Co., Ltd. (JP) | 2012-11-14 | — | — | EP | disclosed |
| WO-2009046308-A1 | INTERMEDIATES AND METHODS FOR THE SYNTHESIS OF HALICHONDRIN B ANALOGS | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2009-04-09 | — | — | WO | disclosed |