⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL821226 | 0.83 | TDP1 (0.39) | — | |
| SCHEMBL6520813 | 0.83 | TDP1 (0.39) | — | |
| SCHEMBL15672321 | 0.83 | TDP1 (0.39) | — | |
| SCHEMBL15451887 | 0.78 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL19057999 | 0.78 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL23139797 | 0.78 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL671860 | 0.78 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL14197579 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL13881472 | 0.73 | KDM4E (0.42) | — | |
| SCHEMBL19604953 | 0.72 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| EP-2358804-B1 | PET CONTAINER AND COMPOSITIONS HAVING ENHANCED MECHANICAL PROPERTIES AND GAS BARRIER PROPERTIES | COCA COLA CO (US) | 2020-02-05 | — | — | EP | disclosed |