⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31674474 | 1.00 | — | — | |
| SCHEMBL31674467 | 1.00 | — | — | |
| SCHEMBL19117255 | 0.81 | SLC1A3 (0.36) | — | |
| SCHEMBL19103492 | 0.81 | — | — | |
| SCHEMBL29794511 | 0.81 | SLC1A3 (0.43) | — | |
| SCHEMBL30013874 | 0.79 | SLC7A5 (0.47) | — | |
| SCHEMBL12114580 | 0.78 | SLC1A2 (0.40) | — | |
| SCHEMBL29794539 | 0.78 | DPP4 (0.42) | — | |
| SCHEMBL27892463 | 0.77 | — | — | |
| SCHEMBL4675889 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230069218-A1 | METHOD FOR PRODUCING PEPTIDE CONTAINING NON-NATURAL AMINO ACID | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2023-03-02 | — | — | US | disclosed |
| WO-2013100132-A1 | PEPTIDE-COMPOUND CYCLIZATION METHOD | 中外製薬株式会社 (JP) | 2013-07-04 | — | — | WO | disclosed |