⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22306075 | 0.79 | — | — | |
| SCHEMBL22872700 | 0.79 | — | — | |
| SCHEMBL24617456 | 0.75 | — | — | |
| Bromide SCHEMBL5046014 | 0.75 | NOS3 (0.50) | — | |
| SCHEMBL4419642 | 0.72 | NOS3 (0.46) | — | |
| SCHEMBL232032 | 0.71 | — | — | |
| SCHEMBL10938764 | 0.70 | CACNA2D1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL31317509 | 0.69 | — | — | |
| Iodide SCHEMBL31317516 | 0.69 | — | — | |
| Bromide SCHEMBL7532633 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2205681-A1 | DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION | L'Oreal (FR) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009040354-A1 | DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION | L'OREAL (FR) | 2009-04-02 | — | — | WO | disclosed |