⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL285357 | 0.98 | — | — | |
| SCHEMBL230454 | 0.98 | — | — | |
| SCHEMBL27574454 | 0.95 | — | — | |
| SCHEMBL15149517 | 0.76 | — | — | |
| SCHEMBL8183729 | 0.74 | — | — | |
| SCHEMBL325433 | 0.74 | — | — | |
| SCHEMBL15330716 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1703549 | 0.73 | CYP2D6 (0.37) | — | |
| SCHEMBL7987327 | 0.71 | — | — | |
| SCHEMBL8525665 | 0.71 | CYP2D6 (0.36) | — |
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-2356092-A1 | BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES | IRM LLC (BM) | 2011-08-17 | — | — | EP | disclosed |
| WO-2010048582-A1 | BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES | IRM LLC (BM) | 2010-04-29 | — | — | WO | disclosed |