⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13558655 | 0.75 | BLM (0.33) | — | |
| SCHEMBL12092393 | 0.75 | MEN1 (0.34) | — | |
| SCHEMBL12813711 | 0.69 | ITGB3 (0.36) | — | |
| SCHEMBL14546479 | 0.66 | MEN1 (0.45) | — | |
| SCHEMBL21128713 | 0.65 | TLR2 (0.42) | — | |
| SCHEMBL24592016 | 0.65 | CA2 (0.47) | — | |
| SCHEMBL28888678 | 0.65 | — | — | |
| SCHEMBL28888677 | 0.65 | — | — | |
| SCHEMBL12814045 | 0.65 | SIGMAR1 (0.34) | — | |
| SCHEMBL22863842 | 0.64 | MEN1 (0.47) | — |
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-20120276124-A1 | MAYTANSINOIDS AND THE USE OF SAID MAYTANSINOIDS TO PREPARE CONJUGATES WITH AN ANTIBODY | SANOFI (FR) | 2012-11-01 | — | — | US | disclosed |