⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10755135 | 0.89 | — | — | |
| Bromide SCHEMBL30705753 | 0.87 | — | — | |
| Bromide SCHEMBL30705752 | 0.87 | — | — | |
| SCHEMBL28885762 | 0.72 | — | — | |
| SCHEMBL29105766 | 0.61 | — | — | |
| Alcohol SCHEMBL28042036 | 0.57 | — | — | |
| Alcohol SCHEMBL9751774 | 0.57 | ALDH1A1 (0.60) | — | |
| Propane SCHEMBL7622911 | 0.55 | — | — | |
| Propane SCHEMBL16416484 | 0.55 | — | — | |
| Propane SCHEMBL15051473 | 0.54 | ALDH1A1 (0.31) | — |
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-117304458-A | Imidazolyl anion dyeable polyester master batch and preparation method and application thereof | 武汉纺织大学 | 2023-12-29 | — | — | CN | disclosed |