⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12510958 | 0.82 | MGAM (0.33) | — | |
| SCHEMBL10099996 | 0.82 | MGAM (0.33) | — | |
| SCHEMBL13825725 | 0.82 | MGAM (0.33) | — | |
| SCHEMBL13825710 | 0.82 | MGAM (0.33) | — | |
| SCHEMBL12511006 | 0.82 | MGAM (0.33) | — | |
| SCHEMBL10099994 | 0.68 | MGAM (0.31) | — | |
| SCHEMBL10063783 | 0.66 | MGAM (0.35) | — | |
| SCHEMBL17466776 | 0.64 | MGAM (0.34) | — | |
| SCHEMBL25468150 | 0.63 | — | — | |
| SCHEMBL12432564 | 0.61 | OPRM1 (0.31) | — |
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-RE46965-E1 | Intermediates for the preparation of analogs of Halichondrin B | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2018-07-24 | — | — | US | disclosed |