⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24484189 | 0.81 | — | — | |
| SCHEMBL6454518 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL19034552 | 0.67 | PIK3CD (0.36) | — | |
| SCHEMBL24484534 | 0.65 | — | — | |
| SCHEMBL24106636 | 0.60 | — | — | |
| SCHEMBL2025380 | 0.59 | HTR2A (0.31) | — | |
| SCHEMBL2025382 | 0.59 | HTR2A (0.31) | — | |
| SCHEMBL2025725 | 0.59 | HTR2A (0.31) | — | |
| SCHEMBL9776175 | 0.59 | HTR2A (0.31) | — | |
| SCHEMBL12571484 | 0.58 | SLC6A2 (0.31) | — |
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-2022115039-A1 | MAGNETIC NANOCOMPOSITE MATERIALS SUITABLE FOR MAGNETIC LOCALIZED POLYMERISATION OF AN ANAEROBIC ADHESIVE | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2022-06-02 | — | — | WO | disclosed |