⚠ 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 | |
|---|---|---|---|---|
| Thiosulfuric Acid SCHEMBL27581311 | 0.80 | CA5A (0.39) | — | |
| SCHEMBL242727 | 0.75 | — | — | |
| SCHEMBL30468246 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3293798 | 0.72 | — | — | |
| SCHEMBL27594929 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL27944612 | 0.72 | — | — | |
| Thiosulfuric Acid SCHEMBL244130 | 0.70 | — | — | |
| SCHEMBL284772 | 0.70 | — | — | |
| Sulfuric Acid SCHEMBL166792 | 0.70 | CA5A (0.60) | — | |
| Sulfuric Acid SCHEMBL1155575 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-11005701-A | — | — | None | — | — | JP | disclosed |
| JP-H115701-A | CUT FLOWER FRESHNESS MAINTAINING AGENT, MAINTENANCE OF CUT FLOWER FRESHNESSM AND PREPARATION OF CUT FLOWER AND CUT FLOWER FRESHNESS MAINTAINING AGENT | KONICA CORP | 1999-01-12 | — | — | JP | disclosed |