⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2737342 | 0.82 | P2RX3 (0.33) | — | |
| SCHEMBL23489756 | 0.78 | APLNR (0.33) | — | |
| SCHEMBL22570346 | 0.78 | — | — | |
| SCHEMBL26315298 | 0.78 | HDAC4 (0.31) | — | |
| SCHEMBL26313665 | 0.76 | HDAC4 (0.31) | — | |
| SCHEMBL20844090 | 0.75 | TSHR (0.35) | — | |
| SCHEMBL26558669 | 0.72 | P2RX3 (0.34) | — | |
| SCHEMBL26315300 | 0.72 | HDAC4 (0.30) | — | |
| SCHEMBL26463849 | 0.72 | CYP11B1 (0.38) | — | |
| SCHEMBL25591547 | 0.70 | KDM4E (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200369648-A1 | TLR7/8 ANTAGONISTS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2020-11-26 | — | — | US | disclosed |