⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL43655 | 0.97 | — | — | |
| SCHEMBL2784326 | 0.97 | — | — | |
| SCHEMBL7752906 | 0.97 | ALDH1A1 (0.41) | — | |
| Fluoride SCHEMBL2126927 | 0.93 | ALDH1A1 (0.39) | — | |
| Fluoride SCHEMBL3190235 | 0.93 | — | — | |
| Iodide SCHEMBL11661272 | 0.90 | TDP1 (0.37) | — | |
| SCHEMBL11327854 | 0.88 | TDP1 (0.42) | — | |
| Acetic Acid Methyl Ester SCHEMBL29236065 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL21811712 | 0.81 | ALDH1A1 (0.40) | — | |
| Methyl Isobutyl Ketone SCHEMBL722701 | 0.79 | ALDH1A1 (0.67) | — |
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-5773486-A | USING A KETONE AS PHOTOINITIATOR | LUCENT TECHNOLOGIES INC. (US) | 1998-06-30 | — | — | US | disclosed |