⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9976313 | 0.83 | TDP1 (0.46) | — | |
| SCHEMBL675318 | 0.81 | — | — | |
| SCHEMBL21498575 | 0.81 | — | — | |
| SCHEMBL419473 | 0.81 | — | — | |
| SCHEMBL8820540 | 0.81 | — | — | |
| SCHEMBL683686 | 0.79 | TDP1 (0.43) | — | |
| SCHEMBL22556641 | 0.79 | — | — | |
| SCHEMBL419528 | 0.79 | TDP1 (0.43) | — | |
| SCHEMBL8363277 | 0.77 | NOS3 (0.43) | — | |
| SCHEMBL770417 | 0.77 | NOS3 (0.56) | — |
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 |