Predicted protein targets (top 2)
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL28130734 | 0.95 | CYP2A6 (0.33) | CYP2A6ALOX12 | |
| SCHEMBL28219489 | 0.78 | — | — | |
| SCHEMBL4477160 | 0.67 | CYP2A6 (0.39) | CYP2A6 | |
| SCHEMBL700107 | 0.65 | CYP2A6 (0.44) | CYP2A6ALOX12 | |
| SCHEMBL2516748 | 0.65 | ALDH1A1 (0.46) | CYP2A6 | |
| SCHEMBL1976862 | 0.60 | — | — | |
| Naphthalene SCHEMBL2696286 | 0.60 | CYP2A6 (0.89) | CYP2A6ALOX12 | |
| Naphthalene SCHEMBL2696131 | 0.60 | CYP2A6 (0.89) | CYP2A6ALOX12 | |
| Naphthalene SCHEMBL51882 | 0.60 | CYP2A6 (0.89) | CYP2A6ALOX12 | |
| Naphthalene SCHEMBL5950127 | 0.60 | CYP2A6 (0.89) | CYP2A6ALOX12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3741764-A1 | SYNTHESIS METHOD FOR BORONIC ACID ESTER COMPOUND, AND SODIUM SALT OF BORONIC ACID ESTER COMPOUND AND SYNTHESIS METHOD THEREFOR | Kobelco Eco-Solutions Co., Ltd (JP) | 2020-11-25 | — | — | EP | disclosed |
| CN-111801335-A | Synthesis method of boronic acid ester compound, sodium salt of boronic acid ester compound and synthesis method thereof | 株式会社神钢环境舒立净 | 2020-10-20 | — | — | CN | disclosed |
| WO-2019142854-A1 | SYNTHESIS METHOD FOR BORONIC ACID ESTER COMPOUND, AND SODIUM SALT OF BORONIC ACID ESTER COMPOUND AND SYNTHESIS METHOD THEREFOR | 株式会社神鋼環境ソリューション | 2019-07-25 | — | — | WO | disclosed |