⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27467670 | 0.77 | KDM4E (0.32) | — | |
| SCHEMBL15953455 | 0.77 | KDM4E (0.32) | — | |
| Hydrochloric Acid SCHEMBL17092521 | 0.75 | APP (0.34) | — | |
| Hydrochloric Acid SCHEMBL958121 | 0.75 | IDO1 (0.32) | — | |
| Chlorobenzene SCHEMBL27446491 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL28544200 | 0.73 | IDO1 (0.36) | — | |
| Biphenyl SCHEMBL28193720 | 0.73 | ALDH1A1 (0.43) | — | |
| SCHEMBL28524419 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL28528984 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL539282 | 0.72 | POLB (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1134444-C | Epothilone analogs and pharmaceutical compositions thereof | 普罗格特-甘布尔公司 | 2004-01-14 | — | — | CN | disclosed |
| CN-1246862-A | Epothilone analogs | NOVARTIS AG (CH) | 2000-03-08 | — | — | CN | disclosed |