⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24246012 | 0.76 | — | — | |
| SCHEMBL759326 | 0.75 | — | — | |
| SCHEMBL19071369 | 0.74 | KIF11 (0.30) | — | |
| SCHEMBL11014223 | 0.73 | — | — | |
| SCHEMBL21214483 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL15663610 | 0.73 | KDM4E (0.40) | — | |
| SCHEMBL31400275 | 0.73 | — | — | |
| SCHEMBL15618456 | 0.73 | — | — | |
| SCHEMBL20380913 | 0.72 | — | — | |
| SCHEMBL25456005 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022115039-A1 | MAGNETIC NANOCOMPOSITE MATERIALS SUITABLE FOR MAGNETIC LOCALIZED POLYMERISATION OF AN ANAEROBIC ADHESIVE | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2022-06-02 | — | — | WO | disclosed |
| US-11198705-B2 | Hybrid Amphotericin B derivatives with reduced toxicity | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2021-12-14 | — | — | US | disclosed |