⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5585735 | 1.00 | — | — | |
| SCHEMBL28142684 | 0.93 | SLC6A4 (0.34) | — | |
| SCHEMBL24308462 | 0.84 | — | — | |
| SCHEMBL5585336 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL6658044 | 0.78 | — | — | |
| SCHEMBL24718527 | 0.78 | — | — | |
| SCHEMBL25349071 | 0.78 | — | — | |
| SCHEMBL13448668 | 0.78 | — | — | |
| Iodide SCHEMBL28867004 | 0.76 | EHMT2 (0.32) | — | |
| SCHEMBL3801077 | 0.76 | SLC6A4 (0.31) | — |
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-2022087375-A1 | NOVEL HETEROCYCLIC COMPOUNDS | SPECTRUM PHARMACEUTICALS, INC. (US) | 2022-04-28 | — | — | WO | disclosed |
| US-8933116-B2 | Gamma secretase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-01-13 | — | — | US | disclosed |
| US-20140018342-A1 | GAMMA SECRETASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-01-16 | — | — | US | disclosed |