⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL738392 | 1.00 | — | — | |
| SCHEMBL738391 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL2028219 | 0.98 | — | — | |
| SCHEMBL7005905 | 0.77 | — | — | |
| SCHEMBL22051472 | 0.77 | — | — | |
| SCHEMBL11728551 | 0.77 | — | — | |
| SCHEMBL22201957 | 0.73 | BRD4 (0.41) | — | |
| SCHEMBL8001289 | 0.73 | BRD4 (0.41) | — | |
| SCHEMBL24764025 | 0.71 | INMT (0.39) | — | |
| SCHEMBL22051471 | 0.71 | — | — |
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-0023257-B1 | Dichloro-hydroxyethylamino phenols, process for their production, their use and hair dyeing compositions containing them | Henkel Kommanditgesellschaft auf Aktien (DE) | 1982-06-30 | — | — | EP | disclosed |
| EP-0024710-A2 | Hair dyeing substances | Henkel Kommanditgesellschaft auf Aktien (DE) | 1981-03-11 | — | — | EP | disclosed |
| EP-0023257-A1 | Dichloro-hydroxyethylamino phenols, process for their production, their use and hair dyeing compositions containing them | Henkel Kommanditgesellschaft auf Aktien (DE) | 1981-02-04 | — | — | EP | disclosed |