⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27814436 | 0.78 | — | — | |
| SCHEMBL1324159 | 0.78 | — | — | |
| SCHEMBL17644091 | 0.71 | — | — | |
| SCHEMBL1291122 | 0.71 | — | — | |
| SCHEMBL15001431 | 0.71 | — | — | |
| SCHEMBL1441521 | 0.71 | — | — | |
| SCHEMBL17177648 | 0.70 | — | — | |
| SCHEMBL1668401 | 0.70 | — | — | |
| Bromide SCHEMBL6441269 | 0.70 | EPHX1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL2376191 | 0.70 | CA1 (0.48) | — |
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-112261939-A | Granzyme B directed imaging and therapy | 塞托赛特生物制药股份有限公司 | 2021-01-22 | — | — | CN | disclosed |