⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8279446 | 0.81 | — | — | |
| SCHEMBL10780384 | 0.78 | GAA (0.42) | — | |
| SCHEMBL28515347 | 0.78 | GAA (0.42) | — | |
| SCHEMBL6869303 | 0.77 | — | — | |
| SCHEMBL17377683 | 0.75 | — | — | |
| SCHEMBL29091759 | 0.75 | — | — | |
| Methylamine SCHEMBL28787480 | 0.75 | GAA (0.46) | — | |
| SCHEMBL28243058 | 0.75 | GAA (0.41) | — | |
| SCHEMBL21018733 | 0.75 | GAA (0.41) | — | |
| SCHEMBL2185156 | 0.73 | GAA (0.50) | — |
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-7348361-B2 | 5-aminolevulinic acid ester solution; detection of fluorescent protoporphyrin IX | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) | 2008-03-25 | — | — | US | disclosed |
| US-20030158258-A1 | Solution for diagnosing or treating tissue pathologies | UNIVERSITY OF LAUSANNE (CH) | 2003-08-21 | — | — | US | disclosed |