⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2100071 | 1.00 | — | — | |
| SCHEMBL26030232 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL17695270 | 0.97 | — | — | |
| SCHEMBL23604934 | 0.83 | — | — | |
| SCHEMBL3367338 | 0.83 | — | — | |
| SCHEMBL2835456 | 0.83 | — | — | |
| SCHEMBL3365704 | 0.81 | SPHK1 (0.95) | — | |
| SCHEMBL6863016 | 0.79 | SPHK1 (1.00) | — | |
| SCHEMBL6865655 | 0.79 | SPHK1 (1.00) | — | |
| SCHEMBL5654343 | 0.79 | SPHK1 (1.00) | — |
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-2021133509-A1 | HETEROCYCLIC COMPOUNDS AS MTOR INHIBITORS | ANGEX PHARMACEUTICAL, INC. (US) | 2021-07-01 | — | — | WO | disclosed |
| WO-2017118822-A2 | \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER | UNIVERSITE PARIS-SUD (FR) | 2017-07-13 | — | — | WO | disclosed |