⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1051910 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL1118019 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL3224889 | 0.90 | — | — | |
| SCHEMBL2638354 | 0.65 | — | — | |
| SCHEMBL2023689 | 0.62 | — | — | |
| SCHEMBL38356 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL15157624 | 0.62 | — | — | |
| SCHEMBL12255114 | 0.60 | — | — | |
| SCHEMBL19986423 | 0.60 | — | — | |
| SCHEMBL11053838 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104662007-B | Cystathionine gamma lyase (CSE) inhibitor | 索瓦制药公司 | 2018-03-16 | — | — | CN | disclosed |
| CN-104662007-A | Cystathionine-upsilon-lyase (cse) inhibitors | SOVA PHARMACEUTICALS INC | 2015-05-27 | — | — | CN | disclosed |