⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29032243 | 1.00 | — | — | |
| SCHEMBL3924747 | 0.84 | PLA2G1B (0.31) | — | |
| SCHEMBL9823369 | 0.77 | SLC6A1 (0.33) | — | |
| SCHEMBL9823374 | 0.77 | SLC6A1 (0.33) | — | |
| SCHEMBL8133320 | 0.77 | SLC6A1 (0.33) | — | |
| SCHEMBL8755099 | 0.74 | SLC6A1 (0.31) | — | |
| SCHEMBL4612981 | 0.74 | SLC6A1 (0.31) | — | |
| SCHEMBL7757782 | 0.73 | L3MBTL1 (0.36) | — | |
| SCHEMBL12231026 | 0.71 | L3MBTL1 (0.30) | — | |
| SCHEMBL3914283 | 0.71 | NR3C1 (0.35) | — |
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-116406353-A | Semicarbazide composition and water-based paint composition | 旭化成株式会社 | 2023-07-07 | — | — | CN | disclosed |