⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27927523 | 0.69 | — | — | |
| SCHEMBL2722876 | 0.69 | — | — | |
| SCHEMBL28483902 | 0.69 | FDPS (0.41) | — | |
| SCHEMBL18769166 | 0.67 | SMPD1 (0.45) | — | |
| SCHEMBL5635043 | 0.67 | SMPD1 (0.35) | — | |
| SCHEMBL4612999 | 0.67 | — | — | |
| SCHEMBL10429436 | 0.67 | — | — | |
| SCHEMBL5963622 | 0.67 | SMPD1 (0.39) | — | |
| SCHEMBL7461477 | 0.67 | FDPS (0.39) | — | |
| Phosphorylisopropane SCHEMBL82996 | 0.67 | — | — |
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-115279416-A | Reactive conjugates | 德彪药业国际股份公司 | 2022-11-01 | — | — | CN | disclosed |