⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4253793 | 0.61 | — | — | |
| Bicarbonate SCHEMBL8577664 | 0.46 | — | — | |
| Bicarbonate SCHEMBL9790007 | 0.46 | CA1 (0.56) | — | |
| Pivalate SCHEMBL11876906 | 0.45 | TSHR (0.53) | — | |
| Oxalic Acid SCHEMBL27704943 | 0.45 | TSHR (0.53) | — | |
| Oxalic Acid SCHEMBL28337441 | 0.45 | ALDH1A1 (0.44) | — | |
| Oxalic Acid SCHEMBL28337439 | 0.45 | ALDH1A1 (0.44) | — | |
| Pivalate SCHEMBL27686624 | 0.45 | TSHR (0.53) | — | |
| SCHEMBL271740 | 0.43 | — | — | |
| Tert-Butanol SCHEMBL1204871 | 0.43 | ALDH1A1 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119838022-A | Amatoxin conjugates containing branched linkers | 杭州多禧生物科技有限公司 | 2025-04-18 | — | — | CN | disclosed |
| CN-113423430-B | Amatoxin conjugates containing branched linkers | 杭州多禧生物科技有限公司 | 2024-12-03 | — | — | CN | disclosed |