⚠ 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 | |
|---|---|---|---|---|
| 2-Pyrrolidone SCHEMBL9304498 | 0.97 | OR51E2 (1.00) | — | |
| 2-Pyrrolidone SCHEMBL4299593 | 0.97 | — | — | |
| 2-Pyrrolidone SCHEMBL2389 | 0.97 | — | — | |
| 2-Pyrrolidone SCHEMBL2167448 | 0.97 | OR51E2 (1.00) | — | |
| 2-Pyrrolidone SCHEMBL27827832 | 0.97 | — | — | |
| 2-Pyrrolidone SCHEMBL2518866 | 0.94 | — | — | |
| 2-Pyrrolidone SCHEMBL3477689 | 0.94 | — | — | |
| 2-Pyrrolidone SCHEMBL5274639 | 0.94 | — | — | |
| 2-Pyrrolidone SCHEMBL11328078 | 0.94 | — | — | |
| 2-Pyrrolidone SCHEMBL21858973 | 0.94 | — | — |
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-7857865-B2 | Composition comprising at least one ortho-diphenol, metal salt, hydrogen peroxide and (bi)carbonate and hair dyeing method therewith | L'OREAL S.A. (FR) | 2010-12-28 | — | — | US | disclosed |
| US-20100150857-A1 | COMPOSITION COMPRISING AT LEAST ONE ORTHO-DIPHENOL, METAL SALT, HYDROGEN PEROXIDE AND (BI)CARBONATE AND HAIR DYEING METHOD THEREWITH | L'OREAL S.A. (FR) | 2010-06-17 | — | — | US | disclosed |