⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6728568 | 0.78 | — | — | |
| SCHEMBL21273032 | 0.78 | — | — | |
| SCHEMBL6724603 | 0.78 | — | — | |
| SCHEMBL23655252 | 0.74 | — | — | |
| SCHEMBL14609633 | 0.74 | — | — | |
| SCHEMBL15684216 | 0.74 | — | — | |
| SCHEMBL14543013 | 0.74 | — | — | |
| SCHEMBL1276132 | 0.72 | — | — | |
| SCHEMBL6724599 | 0.72 | — | — | |
| SCHEMBL1276131 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11713329-B2 | Intermediates useful in the preparation of halichondrin compounds and methods for preparing the same | BEIJING TIENYI LUFU PHARMATECH CO. LTD. (CN) | 2023-08-01 | — | — | US | disclosed |