⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23623842 | 0.88 | — | — | |
| SCHEMBL23623866 | 0.86 | — | — | |
| SCHEMBL23623821 | 0.85 | ELANE (0.32) | — | |
| SCHEMBL23623868 | 0.85 | — | — | |
| SCHEMBL23610204 | 0.78 | — | — | |
| SCHEMBL23610203 | 0.78 | — | — | |
| SCHEMBL23623980 | 0.75 | TP53 (0.36) | — | |
| SCHEMBL23623796 | 0.73 | — | — | |
| SCHEMBL23623835 | 0.72 | SLC6A3 (0.32) | — | |
| SCHEMBL23623819 | 0.69 | TP53 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210207188-A1 | BETA-LACTAM COMPOUNDS AND METHODS OF USE THEREOF | THE UNIVERSITY OF HONG KONG (HK) | 2021-07-08 | — | — | US | disclosed |