⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57614 | 0.87 | — | — | |
| Formaldehyde SCHEMBL1899503 | 0.67 | — | — | |
| Formaldehyde SCHEMBL9617332 | 0.67 | ALDH1A1 (0.36) | — | |
| Acetaldehyde SCHEMBL1818882 | 0.62 | — | — | |
| Formic Acid SCHEMBL2091507 | 0.62 | — | — | |
| Acetaldehyde SCHEMBL11170140 | 0.62 | — | — | |
| Formic Acid SCHEMBL28689258 | 0.62 | ALDH1A1 (0.33) | — | |
| Formaldehyde SCHEMBL13582711 | 0.61 | — | — | |
| Formaldehyde SCHEMBL12190180 | 0.61 | — | — | |
| Formaldehyde SCHEMBL3907789 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2229358-B1 | INDOLES AND THEIR THERAPEUTIC USE | PULMAGEN THERAPEUTICS ASTHMA LTD (GB) | 2011-03-23 | — | — | EP | disclosed |