⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1276340 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL9082807 | 0.58 | ALDH1A1 (0.33) | — | |
| SCHEMBL203518 | 0.57 | ALDH1A1 (0.44) | — | |
| SCHEMBL2771869 | 0.57 | ALDH1A1 (0.44) | — | |
| SCHEMBL2283504 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL2869659 | 0.55 | — | — | |
| SCHEMBL6552222 | 0.55 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL28130334 | 0.55 | — | — | |
| SCHEMBL339422 | 0.55 | — | — | |
| SCHEMBL204297 | 0.55 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5386047-A | Monomers for heat resistant, high bonding strength cyanoacrylate adhesives | LOCTITE CORPORATION (US) | 1995-01-31 | — | — | US | disclosed |
| US-5386047-A | Monomers for heat resistant, high bonding strength cyanoacrylate adhesives | LOCTITE CORPORATION (US) | 1995-01-31 | — | — | US | disclosed |