⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL690855 | 0.68 | — | — | |
| Ethane SCHEMBL8859459 | 0.63 | — | — | |
| SCHEMBL929348 | 0.50 | — | — | |
| SCHEMBL16329446 | 0.47 | — | — | |
| Iodide SCHEMBL9818601 | 0.45 | — | — | |
| Ethane SCHEMBL9646899 | 0.45 | — | — | |
| SCHEMBL1846678 | 0.45 | — | — | |
| SCHEMBL8651273 | 0.41 | — | — | |
| SCHEMBL4561236 | 0.41 | — | — | |
| SCHEMBL1559737 | 0.41 | — | — |
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-20160121002-A1 | Bioorthogonal Turn-on Probes | THE GENERAL HOSPITAL CORPORATION (US) | 2016-05-05 | — | — | US | disclosed |