⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL256700 | 0.98 | — | — | |
| Fluoride SCHEMBL28194628 | 0.96 | ALDH1A1 (0.52) | — | |
| SCHEMBL221257 | 0.91 | ALDH1A1 (0.56) | — | |
| SCHEMBL775269 | 0.89 | ALDH1A1 (0.59) | — | |
| SCHEMBL8760661 | 0.89 | ALDH1A1 (0.59) | — | |
| SCHEMBL1514965 | 0.89 | ALDH1A1 (0.59) | — | |
| SCHEMBL1863821 | 0.89 | ALDH1A1 (0.59) | — | |
| SCHEMBL2706580 | 0.89 | ALDH1A1 (0.59) | — | |
| SCHEMBL3384661 | 0.89 | ALDH1A1 (0.59) | — | |
| SCHEMBL8760670 | 0.89 | ALDH1A1 (0.59) | — |
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-105793331-A | Black polymer particles | 默克专利股份有限公司 | 2016-07-20 | — | — | CN | disclosed |