⚠ 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 SCHEMBL9635156 | 0.80 | — | — | |
| Zinc Ion SCHEMBL10992139 | 0.77 | — | — | |
| SCHEMBL482103 | 0.72 | ALDH1A1 (0.33) | — | |
| Zinc Ion SCHEMBL10992340 | 0.64 | NOS1 (0.52) | — | |
| SCHEMBL13792503 | 0.61 | — | — | |
| SCHEMBL21720382 | 0.58 | — | — | |
| SCHEMBL14375492 | 0.58 | ADORA2A (0.33) | — | |
| SCHEMBL23210366 | 0.58 | — | — | |
| SCHEMBL25317543 | 0.57 | CSNK2A1 (0.42) | — | |
| SCHEMBL22061140 | 0.57 | IKBKB (0.33) | — |
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 1 patent. 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 |