⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6403066 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL7699608 | 0.73 | MEN1 (0.40) | — | |
| SCHEMBL16490263 | 0.71 | MEN1 (0.39) | — | |
| SCHEMBL16296751 | 0.71 | CYP3A4 (0.33) | — | |
| SCHEMBL28333326 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL6850443 | 0.66 | ALDH1A1 (0.38) | — | |
| SCHEMBL15325422 | 0.64 | ALDH1A1 (0.46) | — | |
| SCHEMBL17264739 | 0.64 | MEN1 (0.33) | — | |
| SCHEMBL3840387 | 0.64 | HTT (0.41) | — | |
| SCHEMBL3839170 | 0.64 | MEN1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050058602-A1 | Dye composition and method for detection of demineralized lesions in teeth | THE PROCTER & GAMBLE COMPANY | 2005-03-17 | — | — | US | disclosed |