⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27081692 | 0.88 | SHBG (0.31) | — | |
| SCHEMBL27081613 | 0.85 | SHBG (0.35) | — | |
| SCHEMBL1030997 | 0.85 | SHBG (0.35) | — | |
| Iodide SCHEMBL28273116 | 0.83 | SHBG (0.33) | — | |
| Water SCHEMBL3186855 | 0.83 | SHBG (0.33) | — | |
| SCHEMBL20797037 | 0.73 | BBOX1 (0.38) | — | |
| SCHEMBL5624036 | 0.73 | — | — | |
| SCHEMBL4641504 | 0.72 | CA12 (0.32) | — | |
| SCHEMBL20796997 | 0.69 | — | — | |
| Bromide SCHEMBL26110688 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019048375-A1 | CATALYST COMPRISING A NOVEL MOLECULAR SIEVE BELONGING TO THE ERI FAMILY AND USE OF THE CATALYST | HALDOR TOPSØE A/S (DK) | 2019-03-14 | — | — | WO | disclosed |