⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6933470 | 0.67 | — | — | |
| SCHEMBL6935657 | 0.66 | — | — | |
| SCHEMBL13890785 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL6728000 | 0.57 | — | — | |
| SCHEMBL20183030 | 0.56 | — | — | |
| SCHEMBL20183036 | 0.56 | — | — | |
| SCHEMBL28277796 | 0.54 | MAPT (0.32) | — | |
| SCHEMBL7162012 | 0.54 | ALDH1A1 (0.35) | — | |
| SCHEMBL6234040 | 0.53 | ALDH1A1 (0.31) | — | |
| SCHEMBL6234607 | 0.53 | TSHR (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0903342-B1 | 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics | OREAL (FR) | 2003-12-17 | — | — | EP | claimed |
| EP-0903342-A1 | 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics | L'OREAL (FR) | 1999-03-24 | — | — | EP | claimed |
| EP-0903342-B1 | 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics | OREAL (FR) | 2003-12-17 | — | — | EP | disclosed |
| EP-0903342-A1 | 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics | L'OREAL (FR) | 1999-03-24 | — | — | EP | disclosed |