⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3310180 | 0.79 | — | — | |
| SCHEMBL9358435 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL25356046 | 0.77 | — | — | |
| SCHEMBL30101056 | 0.73 | — | — | |
| SCHEMBL19718593 | 0.70 | — | — | |
| SCHEMBL19718514 | 0.70 | — | — | |
| SCHEMBL1062175 | 0.70 | GRM2 (0.31) | — | |
| SCHEMBL28611997 | 0.70 | GRM2 (0.31) | — | |
| SCHEMBL29200802 | 0.68 | GRIN2B (0.43) | — | |
| SCHEMBL28833355 | 0.67 | FFAR3 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1966130-A2 | MODIFIED LYSINE-MIMETIC COMPOUNDS | Zealand Pharma A/S (DK) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007078990-A2 | MODIFIED LYSINE-MIMETIC COMPOUNDS | ZEALAND PHARMA A/S (DK) | 2007-07-12 | — | — | WO | disclosed |