⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27494066 | 0.93 | — | — | |
| SCHEMBL7133796 | 0.76 | — | — | |
| SCHEMBL11528812 | 0.76 | POLB (0.43) | — | |
| SCHEMBL11525942 | 0.74 | POLB (0.41) | — | |
| SCHEMBL11528447 | 0.71 | KMT2A (0.48) | — | |
| SCHEMBL23829885 | 0.70 | — | — | |
| SCHEMBL3554239 | 0.68 | — | — | |
| SCHEMBL12013049 | 0.68 | — | — | |
| SCHEMBL11675174 | 0.68 | — | — | |
| SCHEMBL11952835 | 0.67 | ALDH1A1 (0.32) | — |
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-0840592-A1 | AGENT AND PROCESS FOR PERMANENT HAIR WAVE BASED ON MERCAPTOACETAMIDES, AND PROCESS FOR THE PREPARATION THEREOF | Wella Aktiengesellschaft (DE) | 1998-05-13 | — | — | EP | disclosed |
| WO-1997041828-A1 | AGENT AND PROCESS FOR PERMANENT HAIR WAVE BASED ON MERCAPTOACETAMIDES, AND PROCESS FOR THE PREPARATION THEREOF | WELLA AKTIENGESELLSCHAFT (DE) | 1997-11-13 | — | — | WO | disclosed |