⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3158142 | 0.76 | — | — | |
| SCHEMBL3678834 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL16857703 | 0.73 | — | — | |
| SCHEMBL6656596 | 0.73 | — | — | |
| SCHEMBL7888398 | 0.71 | — | — | |
| SCHEMBL7199902 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL7947236 | 0.69 | — | — | |
| SCHEMBL2868189 | 0.69 | — | — | |
| SCHEMBL12473636 | 0.69 | — | — | |
| SCHEMBL5086242 | 0.68 | — | — |
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-8889750-B2 | Expanded polypropylene resin particles, and polypropylene resin in-mold-expanded molding | KANEKA CORPORATION (JP) | 2014-11-18 | — | — | US | disclosed |