⚠ 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 | |
|---|---|---|---|---|
| Formaldehyde SCHEMBL27977135 | 1.00 | ALDH1A1 (0.41) | — | |
| SCHEMBL20472689 | 0.97 | ALDH1A1 (0.42) | — | |
| Water SCHEMBL21525772 | 0.97 | — | — | |
| Water SCHEMBL27627574 | 0.97 | ALDH1A1 (0.42) | — | |
| SCHEMBL10422 | 0.97 | — | — | |
| Bicarbonate SCHEMBL10664237 | 0.94 | ALDH1A1 (0.41) | — | |
| Ammonia Solution, Strong SCHEMBL902359 | 0.94 | — | — | |
| Iodide SCHEMBL30758542 | 0.94 | — | — | |
| SCHEMBL28419003 | 0.94 | — | — | |
| SCHEMBL3795943 | 0.94 | — | — |
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-112266337-B | Preparation method of low-aldehyde alpha-cyanoacrylate medical adhesive | 诺一迈尔(山东)医学科技有限公司 | 2022-10-25 | — | — | CN | disclosed |
| CN-112266337-B | Preparation method of low-aldehyde alpha-cyanoacrylate medical adhesive | 诺一迈尔(山东)医学科技有限公司 | 2022-10-25 | — | — | CN | disclosed |