⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29581823 | 0.81 | — | — | |
| SCHEMBL7219730 | 0.78 | — | — | |
| SCHEMBL8676219 | 0.75 | — | — | |
| SCHEMBL11139679 | 0.73 | SLC7A5 (0.32) | — | |
| SCHEMBL11249599 | 0.73 | GABRP (0.48) | — | |
| Threonine SCHEMBL9619255 | 0.72 | — | — | |
| Threonine SCHEMBL9619252 | 0.72 | — | — | |
| Threonine SCHEMBL6664402 | 0.72 | SLC7A5 (0.52) | — | |
| Threonine SCHEMBL22264058 | 0.72 | SLC7A5 (0.52) | — | |
| Threonine SCHEMBL10947748 | 0.72 | SLC7A5 (0.52) | — |
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-110571791-B | Optimal configuration method for power transmission network planning under new energy access | 西南交通大学 | 2022-05-10 | — | — | CN | disclosed |