⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3189508 | 0.67 | — | — | |
| SCHEMBL9321516 | 0.64 | — | — | |
| SCHEMBL13519551 | 0.63 | — | — | |
| SCHEMBL17030401 | 0.63 | — | — | |
| SCHEMBL7620818 | 0.62 | — | — | |
| SCHEMBL9899907 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL11059191 | 0.61 | — | — | |
| SCHEMBL5858946 | 0.58 | — | — | |
| SCHEMBL31248130 | 0.56 | — | — | |
| SCHEMBL702562 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7060109-B2 | Hair dyeing agents containing indigo derivatives | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGA A) (DE) | 2006-06-13 | — | — | US | disclosed |
| US-20040031108-A1 | Hair dyeing agents containing indigo derivatives | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) | 2004-02-19 | — | — | US | disclosed |