⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15431858 | 1.00 | — | — | |
| SCHEMBL8404161 | 0.78 | — | — | |
| SCHEMBL34508 | 0.78 | — | — | |
| SCHEMBL8841030 | 0.78 | — | — | |
| SCHEMBL28820 | 0.78 | — | — | |
| SCHEMBL8841031 | 0.78 | — | — | |
| SCHEMBL5819577 | 0.78 | — | — | |
| SCHEMBL18735903 | 0.78 | — | — | |
| SCHEMBL28819 | 0.78 | — | — | |
| Propane SCHEMBL15936412 | 0.72 | — | — |
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-20210040556-A1 | ACRIDINIUM ESTER-CONTAINING COMPOUNDS AND METHODS OF USING THE SAME FOR CHEMILUMINESCENCE-BASED ONE-COLOR SEQUENCING | MGI HOLDINGS CO., LIMITED (CN) | 2021-02-11 | — | — | US | disclosed |