⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30673767 | 0.97 | — | — | |
| SCHEMBL4452782 | 0.82 | CHRM2 (0.47) | — | |
| SCHEMBL13745062 | 0.82 | CHRM2 (0.47) | — | |
| Hydrochloric Acid SCHEMBL28405685 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL13773198 | 0.77 | — | — | |
| SCHEMBL13773188 | 0.77 | — | — | |
| SCHEMBL51487 | 0.77 | — | — | |
| SCHEMBL18601318 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL17548907 | 0.76 | PIK3CD (0.32) | — | |
| SCHEMBL25443757 | 0.74 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108285938-B | Acid orange/single-epoxy quaternary ammonium salt composite modified gelatin retanning agent and preparation method thereof | 齐鲁工业大学 | 2020-05-12 | — | — | CN | claimed |
| CN-108285938-B | Acid orange/single-epoxy quaternary ammonium salt composite modified gelatin retanning agent and preparation method thereof | 齐鲁工业大学 | 2020-05-12 | — | — | CN | disclosed |