⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7521659 | 0.69 | — | — | |
| SCHEMBL7521664 | 0.69 | — | — | |
| SCHEMBL5855754 | 0.67 | — | — | |
| SCHEMBL5855755 | 0.67 | — | — | |
| SCHEMBL13437897 | 0.64 | — | — | |
| SCHEMBL6323593 | 0.62 | — | — | |
| SCHEMBL7056812 | 0.61 | — | — | |
| SCHEMBL2686581 | 0.61 | — | — | |
| SCHEMBL10795138 | 0.61 | — | — | |
| SCHEMBL2499418 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996003124-A1 | DYNEMICIN ANALOGS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1996-02-08 | — | — | WO | disclosed |