⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL567570 | 0.76 | — | — | |
| SCHEMBL10515572 | 0.73 | — | — | |
| SCHEMBL98364 | 0.71 | — | — | |
| Bromide SCHEMBL31372219 | 0.71 | ALDH1A1 (0.34) | — | |
| SCHEMBL28523906 | 0.69 | — | — | |
| SCHEMBL8505611 | 0.69 | ALDH1A1 (0.33) | — | |
| Iodide SCHEMBL4435737 | 0.69 | ALDH1A1 (0.32) | — | |
| Bromide SCHEMBL17335765 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL30272404 | 0.69 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3908734 | 0.69 | ALDH1A1 (0.32) | — |
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-116710467-A | Photooxidation reduction protein modification | 罗莎琳德·富兰克林研究所 | 2023-09-05 | — | — | CN | disclosed |