⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6669244 | 0.82 | — | — | |
| SCHEMBL2046761 | 0.77 | — | — | |
| SCHEMBL18533728 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL1702219 | 0.74 | TRPV1 (0.42) | — | |
| SCHEMBL30506664 | 0.74 | — | — | |
| SCHEMBL30506653 | 0.74 | — | — | |
| SCHEMBL24855 | 0.74 | — | — | |
| SCHEMBL2278577 | 0.74 | — | — | |
| SCHEMBL30506697 | 0.74 | — | — | |
| SCHEMBL4748542 | 0.74 | TRPV1 (0.48) | — |
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-8178474-B1 | Functionalised solid support for alpha-oxoaldehyde synthesis | INSTITUT PASTEUR DE LILLE (FR) | 2012-05-15 | — | — | US | disclosed |