⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4897871 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL9591862 | 0.81 | — | — | |
| SCHEMBL8537408 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL9293725 | 0.73 | — | — | |
| SCHEMBL640653 | 0.73 | — | — | |
| SCHEMBL9063201 | 0.73 | — | — | |
| SCHEMBL9062738 | 0.71 | — | — | |
| SCHEMBL25866499 | 0.71 | — | — | |
| SCHEMBL27401855 | 0.71 | — | — | |
| SCHEMBL802570 | 0.70 | — | — |
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-105189500-A | IP receptor agonist heterocyclic compounds | NOVARTIS AG | 2015-12-23 | — | — | CN | disclosed |