⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12857875 | 0.78 | — | — | |
| SCHEMBL17862053 | 0.78 | — | — | |
| SCHEMBL17265351 | 0.78 | — | — | |
| SCHEMBL15001233 | 0.71 | — | — | |
| SCHEMBL14626529 | 0.71 | — | — | |
| SCHEMBL6564156 | 0.71 | — | — | |
| SCHEMBL13275751 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL795183 | 0.62 | HRH4 (0.34) | — | |
| SCHEMBL13383975 | 0.61 | FUCA1 (0.36) | — | |
| SCHEMBL13451980 | 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-2009106419-A1 | NEW MACROLIDES AND THEIR USE | BASILEA PHARMACEUTICA AG (CH) | 2009-09-03 | — | — | WO | disclosed |