⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11506624 | 0.79 | SIGMAR1 (0.32) | — | |
| SCHEMBL23964729 | 0.78 | — | — | |
| SCHEMBL4432747 | 0.77 | — | — | |
| SCHEMBL16702859 | 0.75 | OPRM1 (0.41) | — | |
| SCHEMBL18968847 | 0.74 | — | — | |
| SCHEMBL21316002 | 0.74 | — | — | |
| SCHEMBL22751577 | 0.74 | — | — | |
| SCHEMBL10821349 | 0.74 | — | — | |
| SCHEMBL19846897 | 0.74 | LMNA (0.31) | — | |
| SCHEMBL19336184 | 0.74 | ALDH1A1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2477598-A2 | COSMETIC COMPOSITIONS CONTAINING THIOMERS FOR HAIR COLOR RETENTION | ELC Management LLC (US) | 2012-07-25 | — | — | EP | disclosed |
| US-20110229430-A1 | Cosmetic Compositions Containing Thiomers For Hair Color Retention | ELC MANAGEMENT LLC | 2011-09-22 | — | — | US | disclosed |
| WO-2011031706-A2 | COSMETIC COMPOSITIONS CONTAINING THIOMERS FOR HAIR COLOR RETENTION | ELC MANAGEMENT LLC (US) | 2011-03-17 | — | — | WO | disclosed |