⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25318508 | 0.66 | — | — | |
| SCHEMBL13735039 | 0.61 | MEN1 (0.47) | — | |
| SCHEMBL395631 | 0.61 | MEN1 (0.47) | — | |
| SCHEMBL16909193 | 0.59 | ALDH1A1 (0.54) | — | |
| SCHEMBL11265164 | 0.59 | ALDH1A1 (0.54) | — | |
| SCHEMBL11098221 | 0.59 | — | — | |
| SCHEMBL27501867 | 0.58 | GRIA4 (0.43) | — | |
| SCHEMBL28533430 | 0.58 | MEN1 (0.30) | — | |
| SCHEMBL27855900 | 0.58 | HTT (0.41) | — | |
| SCHEMBL27440249 | 0.58 | ESR2 (0.46) | — |
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-105518159-A | Method for extracting and converting hemicellulose sugar | VIRDIA INC | 2016-04-20 | — | — | CN | disclosed |