⚠ 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL10997166 | 0.80 | — | — | |
| Zinc Ion SCHEMBL10992139 | 0.80 | — | — | |
| Zinc Ion SCHEMBL10992340 | 0.67 | NOS1 (0.52) | — | |
| SCHEMBL22083545 | 0.67 | POLB (0.35) | — | |
| SCHEMBL12126191 | 0.65 | TSHR (0.39) | — | |
| SCHEMBL13233881 | 0.65 | GAA (0.35) | — | |
| Potassium Ion SCHEMBL17675442 | 0.58 | TSHR (0.47) | — | |
| SCHEMBL6865368 | 0.58 | — | — | |
| SCHEMBL13299029 | 0.58 | — | — | |
| SCHEMBL16479470 | 0.58 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4545803-A | Soil treating method and composition for conserving nitrogen in soil | THE DOW CHEMICAL COMPANY (US) | 1985-10-08 | — | — | US | claimed |
| EP-0166419-B1 | SOIL TREATING METHOD AND COMPOSITION FOR CONSERVING NITROGEN IN SOIL | DOWELANCO (US) | 1992-07-22 | — | — | EP | disclosed |
| EP-0166419-A2 | Soil treating method and composition for conserving nitrogen in soil | DOWELANCO (US) | 1986-01-02 | — | — | EP | disclosed |
| US-4522642-A | ADDING METAL SALTS OF SUBSTITUTED PYRAZOLE COMPOUNDS | THE DOW CHEMICAL COMPANY (US) | 1985-06-11 | — | — | US | disclosed |