⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12638417 | 1.00 | — | — | |
| Maleic Acid SCHEMBL29485878 | 0.91 | HCAR2 (0.48) | — | |
| SCHEMBL2011202 | 0.78 | — | — | |
| SCHEMBL28129594 | 0.73 | — | — | |
| SCHEMBL8343535 | 0.73 | — | — | |
| SCHEMBL7615061 | 0.72 | — | — | |
| SCHEMBL22579362 | 0.72 | — | — | |
| SCHEMBL10702731 | 0.72 | — | — | |
| Methoxymethane SCHEMBL2978772 | 0.72 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL14488940 | 0.72 | HCAR2 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3976185-A1 | HECT E3 LIGASE INHIBITORS AND USES THEREOF | IFOM - Fondazione Istituto FIRC di Oncologia Molecolare (IT) | 2022-04-06 | — | — | EP | disclosed |