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 | |
|---|---|---|---|---|
| SCHEMBL9864870 | 0.75 | CYP2A6 (0.30) | CYP2A6 | |
| SCHEMBL9865145 | 0.64 | ALDH1A1 (0.66) | CYP2A6ALDH1A1 | |
| SCHEMBL10567667 | 0.61 | TDP1 (0.41) | CYP2A6ALDH1A1 | |
| SCHEMBL13084791 | 0.59 | CYP2A6 (0.56) | CYP2A6ALDH1A1 | |
| SCHEMBL5404708 | 0.58 | ATM (0.38) | — | |
| SCHEMBL535964 | 0.57 | LMNA (0.50) | ALDH1A1 | |
| Dimethyl Sulfoxide SCHEMBL27655651 | 0.57 | LMNA (0.44) | CYP2A6ALDH1A1 | |
| SCHEMBL2222194 | 0.57 | — | — | |
| SCHEMBL21491325 | 0.57 | TDP1 (0.38) | ALDH1A1 | |
| SCHEMBL27522167 | 0.57 | TDP1 (0.52) | ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1017243-B | THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY | DUPHAR INT RES (NL) | 1992-07-01 | — | — | CN | disclosed |
| US-4994485-A | Seed and soil fungi, bacteria | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1991-02-19 | — | — | US | disclosed |
| EP-0234622-B1 | NEW THIO COMPOUNDS HAVING FUNGICIDAL ACTIVITY | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1990-06-27 | — | — | EP | disclosed |
| CN-87101917-A | Has the active novel sulfurized compound of antifungal | — | 1988-01-06 | — | — | CN | disclosed |
| EP-0234622-A1 | New thio compounds having fungicidal activity | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1987-09-02 | — | — | EP | disclosed |