⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1470107 | 0.66 | — | — | |
| SCHEMBL295681 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL22104096 | 0.65 | CYP2C19 (0.40) | — | |
| SCHEMBL16348650 | 0.63 | — | — | |
| SCHEMBL22104292 | 0.63 | TSHR (0.36) | — | |
| SCHEMBL18840285 | 0.62 | ALDH1A1 (0.56) | — | |
| SCHEMBL294976 | 0.62 | LMNA (0.33) | — | |
| SCHEMBL642729 | 0.61 | — | — | |
| SCHEMBL9868039 | 0.61 | CYP2C19 (0.38) | — | |
| SCHEMBL294637 | 0.61 | TSHR (0.43) | — |
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-20090143506-A1 | Aldehyde inhibitor composition and polyacetal resin composition | POLYPLASTICS CO., LTD. (JP) | 2009-06-04 | — | — | US | disclosed |