⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4092129 | 1.00 | — | — | |
| SCHEMBL17694176 | 0.88 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL17694174 | 0.88 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL9737504 | 0.75 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL7358049 | 0.73 | CA1 (0.34) | — | |
| SCHEMBL2413432 | 0.67 | — | — | |
| SCHEMBL2413428 | 0.67 | — | — | |
| SCHEMBL7933024 | 0.65 | — | — | |
| SCHEMBL3063624 | 0.65 | — | — | |
| SCHEMBL11683490 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7622465-B2 | Costunolide derivatives | HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) | 2009-11-24 | — | — | US | disclosed |
| US-20090131427-A1 | Costunolide Derivatives | HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) | 2009-05-21 | — | — | US | disclosed |