⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4620897 | 0.90 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL4618806 | 0.88 | — | — | |
| SCHEMBL1362198 | 0.75 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL19049542 | 0.70 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL4621535 | 0.69 | — | — | |
| SCHEMBL1364141 | 0.67 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL1362827 | 0.66 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL2981814 | 0.65 | LMNA (0.33) | — | |
| SCHEMBL10406804 | 0.64 | PTGS1 (0.38) | — | |
| SCHEMBL11410484 | 0.62 | LMNA (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1883454-A2 | AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND | Showa Denko K.K. (JP) | 2008-02-06 | — | — | EP | disclosed |
| WO-2006126729-A2 | AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND | SHOWA DENKO K.K. (JP) | 2006-11-30 | — | — | WO | disclosed |