⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8283058 | 0.75 | — | — | |
| SCHEMBL8545100 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL16225252 | 0.71 | — | — | |
| SCHEMBL28826705 | 0.71 | — | — | |
| SCHEMBL10344956 | 0.69 | — | — | |
| SCHEMBL503042 | 0.69 | — | — | |
| SCHEMBL5883732 | 0.67 | — | — | |
| SCHEMBL699746 | 0.67 | — | — | |
| SCHEMBL10983321 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL10723962 | 0.67 | TSHR (0.41) | — |
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-109071504-A | Inhibitors of receptor interacting protein kinase 1 | 戴纳立制药公司 | 2018-12-21 | — | — | CN | disclosed |