⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17772928 | 0.78 | SLC22A6 (0.35) | — | |
| SCHEMBL19737289 | 0.78 | RNPEP (0.38) | — | |
| SCHEMBL5581336 | 0.77 | — | — | |
| SCHEMBL19729273 | 0.75 | SLC22A6 (0.36) | — | |
| SCHEMBL23829574 | 0.73 | SLC22A6 (0.35) | — | |
| SCHEMBL22384050 | 0.73 | SLC22A6 (0.35) | — | |
| SCHEMBL17772927 | 0.72 | SLC22A6 (0.43) | — | |
| SCHEMBL103866 | 0.70 | — | — | |
| SCHEMBL17772926 | 0.70 | — | — | |
| SCHEMBL105805 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3804725-A2 | NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY | Rhode Island Hospital (US) | 2021-04-14 | — | — | EP | disclosed |
| US-20170362238-A1 | NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY | RHODE ISLAND HOSPITAL | 2017-12-21 | — | — | US | disclosed |