⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5894801 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL5894181 | 0.67 | ATM (0.40) | — | |
| SCHEMBL5894227 | 0.65 | CHEK1 (0.35) | — | |
| SCHEMBL5894688 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL5894432 | 0.64 | PTK2 (0.39) | — | |
| SCHEMBL5894103 | 0.64 | PTK2 (0.39) | — | |
| SCHEMBL5894615 | 0.61 | MAPT (0.34) | — | |
| SCHEMBL5894654 | 0.58 | ATM (0.31) | — | |
| SCHEMBL29429002 | 0.58 | PTK2 (0.64) | — | |
| SCHEMBL1599775 | 0.58 | PTK2 (0.64) | — |
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-20060156485-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2006-07-20 | — | — | US | claimed |
| US-20060156485-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2006-07-20 | — | — | US | disclosed |