⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8636789 | 1.00 | — | — | |
| SCHEMBL8638468 | 0.97 | — | — | |
| SCHEMBL11491673 | 0.91 | LMNA (0.41) | — | |
| SCHEMBL7535756 | 0.90 | — | — | |
| SCHEMBL2121201 | 0.80 | — | — | |
| SCHEMBL84335 | 0.78 | — | — | |
| SCHEMBL2118810 | 0.78 | — | — | |
| SCHEMBL11866303 | 0.78 | TSHR (0.48) | — | |
| SCHEMBL2118811 | 0.78 | — | — | |
| SCHEMBL1454237 | 0.77 | — | — |
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-1957031-A1 | AQUEOUS HAIR COSMETIC COMPOSITION | Kao Corporation (JP) | 2008-08-20 | — | — | EP | disclosed |
| WO-2007064042-A1 | AQUEOUS HAIR COSMETIC COMPOSITION | KAO CORPORATION (JP) | 2007-06-07 | — | — | WO | disclosed |