⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5975794 | 0.83 | KDM4E (0.47) | — | |
| SCHEMBL23402985 | 0.79 | DAO (0.46) | — | |
| SCHEMBL23399589 | 0.77 | MEN1 (0.42) | — | |
| SCHEMBL23401931 | 0.77 | MEN1 (0.46) | — | |
| SCHEMBL23398798 | 0.74 | MEN1 (0.55) | — | |
| SCHEMBL23400008 | 0.72 | DAO (0.35) | — | |
| SCHEMBL23398944 | 0.72 | DAO (0.35) | — | |
| SCHEMBL23399923 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL15196007 | 0.70 | YTHDF2 (0.47) | — | |
| SCHEMBL12297443 | 0.69 | KMT2A (0.64) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021229571-A1 | IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF | METABOMED LTD (IL) | 2021-11-18 | — | — | WO | disclosed |
| EP-3828159-A1 | STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS | BASF SE (DE) | 2021-06-02 | — | — | EP | disclosed |
| WO-2020230136-A1 | ACSS2 INHIBITORS AND METHODS OF USE THEREOF | METABOMED LTD (IL) | 2020-11-19 | — | — | WO | disclosed |