⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12809879 | 1.00 | — | — | |
| SCHEMBL26718013 | 0.77 | — | — | |
| SCHEMBL18389660 | 0.77 | — | — | |
| SCHEMBL7209056 | 0.77 | — | — | |
| SCHEMBL469068 | 0.76 | — | — | |
| SCHEMBL7397717 | 0.76 | — | — | |
| SCHEMBL5686558 | 0.76 | — | — | |
| SCHEMBL8536 | 0.76 | — | — | |
| SCHEMBL8991588 | 0.76 | — | — | |
| SCHEMBL10519890 | 0.76 | — | — |
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-20230358732-A1 | METHODS AND COMPOUNDS FOR DETECTION AND BINDING OF ALDEHYDES | UNIVERSITY OF OTTAWA (CA) | 2023-11-09 | — | — | US | disclosed |