⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6648625 | 0.65 | — | — | |
| SCHEMBL27478634 | 0.63 | — | — | |
| SCHEMBL2530846 | 0.63 | — | — | |
| SCHEMBL6670679 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL31129771 | 0.61 | — | — | |
| SCHEMBL144355 | 0.59 | ADH1B (0.31) | — | |
| Propionaldehyde SCHEMBL27452435 | 0.57 | — | — | |
| SCHEMBL3194692 | 0.57 | — | — | |
| Propionaldehyde SCHEMBL27965298 | 0.57 | ALDH1A1 (0.56) | — | |
| SCHEMBL1361040 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0963947-A1 | MINUTE COMPOSITE INORGANIC POWDER AND USE THEREOF | OJI-YUKA SYNTHETIC PAPER CO., LTD. (JP) | 1999-12-15 | — | — | EP | claimed |
| EP-0963947-A1 | MINUTE COMPOSITE INORGANIC POWDER AND USE THEREOF | OJI-YUKA SYNTHETIC PAPER CO., LTD. (JP) | 1999-12-15 | — | — | EP | disclosed |