⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6538697 | 0.86 | — | — | |
| SCHEMBL21682181 | 0.74 | TP53 (0.37) | — | |
| SCHEMBL21682218 | 0.74 | TP53 (0.37) | — | |
| SCHEMBL7775677 | 0.73 | — | — | |
| SCHEMBL13274551 | 0.73 | — | — | |
| SCHEMBL31319075 | 0.71 | — | — | |
| SCHEMBL13558734 | 0.71 | — | — | |
| SCHEMBL7962241 | 0.71 | — | — | |
| SCHEMBL6538704 | 0.67 | PTGER2 (0.34) | — | |
| SCHEMBL1659298 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021210920-A1 | METHOD FOR PRODUCING RAMELTEON, AND INTERMEDIATE COMPOUND USED FOR SAME | 제이투에이치바이오텍 주식회사 | 2021-10-21 | — | — | WO | disclosed |