⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17076514 | 0.92 | SLC6A4 (0.30) | — | |
| SCHEMBL5359912 | 0.87 | SLC6A4 (0.32) | — | |
| SCHEMBL28159212 | 0.86 | ALDH1A1 (0.38) | — | |
| SCHEMBL11113275 | 0.83 | SIGMAR1 (0.33) | — | |
| SCHEMBL30186899 | 0.83 | DNM1 (0.31) | — | |
| SCHEMBL2795805 | 0.82 | DNM1 (0.42) | — | |
| SCHEMBL8438410 | 0.82 | — | — | |
| SCHEMBL12321647 | 0.82 | — | — | |
| SCHEMBL197462 | 0.82 | — | — | |
| SCHEMBL27874508 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3555244-A1 | POLYMERS AS ADDITIVES FOR FUELS | BASF SE (DE) | 2019-10-23 | — | — | EP | disclosed |