⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10110534 | 0.85 | MEN1 (0.31) | — | |
| SCHEMBL14532823 | 0.81 | — | — | |
| SCHEMBL17973347 | 0.78 | — | — | |
| SCHEMBL10035728 | 0.78 | — | — | |
| SCHEMBL13105442 | 0.76 | HIF1A (0.35) | — | |
| SCHEMBL13120130 | 0.76 | HIF1A (0.35) | — | |
| SCHEMBL25028203 | 0.74 | — | — | |
| SCHEMBL14580607 | 0.74 | — | — | |
| SCHEMBL12948041 | 0.74 | — | — | |
| SCHEMBL12833579 | 0.72 | HIF1A (0.34) | — |
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-7214708-B2 | Synthetic discodermolide analogs | KOSAN BIOSCIENCES INCORPORATED (US) | 2007-05-08 | — | — | US | disclosed |