⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL827843 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL14895307 | 0.97 | ALDH1A1 (0.95) | — | |
| Hydrochloric Acid SCHEMBL29184598 | 0.97 | ALDH1A1 (0.95) | — | |
| SCHEMBL9308691 | 0.97 | ALDH1A1 (0.95) | — | |
| SCHEMBL630064 | 0.92 | ALDH1A1 (0.85) | — | |
| SCHEMBL5394356 | 0.90 | ALDH1A1 (0.81) | — | |
| SCHEMBL9688302 | 0.90 | ALDH1A1 (0.81) | — | |
| SCHEMBL740728 | 0.90 | ALDH1A1 (0.81) | — | |
| SCHEMBL22406917 | 0.90 | ALDH1A1 (0.81) | — | |
| SCHEMBL160049 | 0.90 | ALDH1A1 (0.81) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995001157-A1 | USE OF HYDROXYPHENYL OXIMES AS CHELATING PHOTOPROTECTANTS | THE PROCTER & GAMBLE COMPANY (US) | 1995-01-12 | — | — | WO | claimed |
| WO-1995001157-A1 | USE OF HYDROXYPHENYL OXIMES AS CHELATING PHOTOPROTECTANTS | THE PROCTER & GAMBLE COMPANY (US) | 1995-01-12 | — | — | WO | disclosed |