⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6571860 | 0.83 | ALDH1A1 (0.44) | — | |
| SCHEMBL6571856 | 0.83 | ALDH1A1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL5633268 | 0.80 | ALDH1A1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL6570175 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL4252176 | 0.73 | — | — | |
| SCHEMBL8521259 | 0.71 | — | — | |
| SCHEMBL15976378 | 0.71 | — | — | |
| SCHEMBL16450755 | 0.67 | — | — | |
| SCHEMBL1289386 | 0.65 | — | — | |
| SCHEMBL30988434 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109070488-B | Method for joining metal member and thermosetting resin member, and metal member, thermosetting resin member, and thermoplastic resin sheet used in the method | 马自达汽车株式会社 | 2021-08-20 | — | — | CN | disclosed |