⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2466173 | 0.77 | — | — | |
| SCHEMBL1548059 | 0.77 | — | — | |
| SCHEMBL151236 | 0.70 | — | — | |
| SCHEMBL3673235 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL3609929 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28043539 | 0.67 | — | — | |
| Fluoride SCHEMBL27881685 | 0.67 | — | — | |
| SCHEMBL28453900 | 0.67 | — | — | |
| SCHEMBL638927 | 0.64 | — | — | |
| SCHEMBL15864045 | 0.64 | — | — |
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-107406877-A | additive for accelerating hybridization reaction | 博洛尼亚大学 | 2017-11-28 | — | — | CN | disclosed |