⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL245241 | 0.95 | — | — | |
| SCHEMBL27641218 | 0.95 | ALDH1A1 (0.50) | — | |
| SCHEMBL156118 | 0.95 | — | — | |
| SCHEMBL156117 | 0.95 | — | — | |
| Charcoal, Activated SCHEMBL6391496 | 0.91 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL9156875 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL9156886 | 0.91 | — | — | |
| SCHEMBL29771343 | 0.91 | — | — | |
| Calcium SCHEMBL29771114 | 0.91 | — | — | |
| Charcoal, Activated SCHEMBL6391500 | 0.91 | ALDH1A1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116789733-A | Coupling linker | 上海药明合联生物技术有限公司 | 2023-09-22 | — | — | CN | disclosed |