⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10339979 | 1.00 | — | — | |
| SCHEMBL611007 | 1.00 | — | — | |
| SCHEMBL627214 | 0.93 | GRIN2D (0.55) | — | |
| SCHEMBL11215506 | 0.81 | — | — | |
| SCHEMBL9059809 | 0.81 | — | — | |
| SCHEMBL17196964 | 0.81 | — | — | |
| SCHEMBL15787136 | 0.80 | CYP2C19 (0.48) | — | |
| SCHEMBL9059098 | 0.79 | GRIN2D (0.73) | — | |
| SCHEMBL1276676 | 0.77 | GRIN2D (1.00) | — | |
| SCHEMBL13181225 | 0.76 | GRIN2D (0.57) | — |
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-2021254919-A1 | SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2021-12-23 | — | — | WO | disclosed |
| EP-3925667-A1 | SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2021-12-22 | — | — | EP | disclosed |