⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4057839 | 0.83 | — | — | |
| SCHEMBL1784079 | 0.78 | — | — | |
| SCHEMBL1785190 | 0.77 | TSHR (0.48) | — | |
| SCHEMBL2282237 | 0.76 | — | — | |
| SCHEMBL22657401 | 0.76 | HIF1A (0.47) | — | |
| SCHEMBL28645216 | 0.76 | HIF1A (0.47) | — | |
| SCHEMBL2747826 | 0.76 | HIF1A (0.47) | — | |
| SCHEMBL6565722 | 0.76 | HIF1A (0.47) | — | |
| SCHEMBL8392685 | 0.76 | — | — | |
| SCHEMBL231505 | 0.76 | HIF1A (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-107735438-A | Catalyst containing guanidine radicals | SIKA技术股份公司 | 2018-02-23 | — | — | CN | disclosed |