⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL242727 | 0.75 | — | — | |
| Trimethylammonium SCHEMBL27277547 | 0.72 | — | — | |
| SCHEMBL27594929 | 0.72 | — | — | |
| SCHEMBL5206708 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3293798 | 0.72 | — | — | |
| SCHEMBL28779173 | 0.72 | CA5A (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL27944612 | 0.72 | — | — | |
| Sulfuric Acid SCHEMBL1155575 | 0.70 | — | — | |
| Sulfuric Acid SCHEMBL166792 | 0.70 | CA5A (0.60) | — | |
| Sulfuric Acid SCHEMBL28249272 | 0.70 | CA5A (0.60) | — |
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-5128371-A | Acylated naphthlamines as plant fungicides | CIBA-GEIGY CORPORATION (US) | 1992-07-07 | — | — | US | disclosed |