⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3857602 | 1.00 | — | — | |
| SCHEMBL13964133 | 1.00 | — | — | |
| SCHEMBL3861631 | 0.86 | — | — | |
| SCHEMBL13963920 | 0.86 | — | — | |
| SCHEMBL3861628 | 0.86 | — | — | |
| SCHEMBL3853964 | 0.84 | — | — | |
| SCHEMBL3853961 | 0.84 | — | — | |
| SCHEMBL3853973 | 0.82 | — | — | |
| SCHEMBL3854763 | 0.82 | — | — | |
| SCHEMBL3859197 | 0.82 | — | — |
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-2011787-B1 | Dying composition comprising an azomethin-type compound with a pyrazolinone moiety | OREAL (FR) | 2018-08-01 | — | — | EP | disclosed |
| US-7582123-B2 | Coloring composition comprising at least one azomethine compound with a pyrazolinone unit | L'OREAL S.A. (FR) | 2009-09-01 | — | — | US | disclosed |
| US-20090044348-A1 | Coloring composition comprising at least one azomethine compound with a pyrazolinone unit | L'OREAL S.A. (FR) | 2009-02-19 | — | — | US | disclosed |
| EP-2011787-A1 | Dying composition comprising an azomethin-type compound with a pyrazolinone moiety | L'Oreal (FR) | 2009-01-07 | — | — | EP | disclosed |