⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10344853 | 0.72 | SELL (0.44) | — | |
| SCHEMBL27848174 | 0.70 | LMNA (0.37) | — | |
| SCHEMBL17530142 | 0.69 | MAPT (0.36) | — | |
| SCHEMBL509536 | 0.68 | MAPT (0.38) | — | |
| SCHEMBL9861627 | 0.68 | KCNH2 (0.33) | — | |
| SCHEMBL6510247 | 0.67 | PGK1 (0.32) | — | |
| SCHEMBL2888713 | 0.66 | CYP1A1 (0.31) | — | |
| SCHEMBL31318182 | 0.66 | NOS3 (0.34) | — | |
| Hydrochloric Acid SCHEMBL31318186 | 0.65 | LMNA (0.37) | — | |
| SCHEMBL2888066 | 0.64 | — | — |
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-2793872-B1 | COMBINATION OF A COMPOUND HAVING THE ABILITY TO REARRANGE A LYSOSOMAL ENZYME AND AMBROXOL AND/OR A DERIVATIVE OF AMBROXOL | CENTOGENE IP GMBH (DE) | 2021-03-10 | — | — | EP | disclosed |