⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19729243 | 0.88 | CTSA (0.31) | — | |
| SCHEMBL17773008 | 0.82 | CTSA (0.32) | — | |
| SCHEMBL17772918 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL19729233 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL19737241 | 0.72 | — | — | |
| SCHEMBL1310344 | 0.72 | SLC22A6 (0.33) | — | |
| SCHEMBL19729265 | 0.71 | — | — | |
| SCHEMBL10065632 | 0.70 | KMT2A (0.33) | — | |
| SCHEMBL21690268 | 0.70 | KMT2A (0.33) | — | |
| SCHEMBL17846594 | 0.70 | L3MBTL1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230183253-A1 | NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY | RHODE ISLAND HOSPITAL | 2023-06-15 | — | — | US | disclosed |
| US-20170362238-A1 | NANOMATERIAL COMPOSITIONS, SYNTHESIS, AND ASSEMBLY | RHODE ISLAND HOSPITAL | 2017-12-21 | — | — | US | disclosed |