⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL5392264 | 0.87 | — | — | |
| SCHEMBL28258959 | 0.86 | — | — | |
| SCHEMBL7080542 | 0.86 | — | — | |
| SCHEMBL65965 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL7524961 | 0.83 | — | — | |
| SCHEMBL15261006 | 0.83 | — | — | |
| SCHEMBL8350878 | 0.75 | ANPEP (0.36) | — | |
| Silver SCHEMBL28563383 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL1585821 | 0.74 | — | — | |
| Nitric Acid SCHEMBL5390843 | 0.73 | CA5A (0.36) | — |
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-103333170-B | Benzimidazoles compound and application thereof | 清华大学 | 2016-08-10 | — | — | CN | disclosed |