⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8431963 | 0.84 | GRIK1 (0.38) | — | |
| SCHEMBL27812618 | 0.80 | SLC1A3 (0.32) | — | |
| SCHEMBL8428511 | 0.80 | SLC1A3 (0.32) | — | |
| SCHEMBL15034581 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL3302336 | 0.72 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL4995291 | 0.72 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL8633106 | 0.71 | SLC1A3 (0.37) | — | |
| SCHEMBL9314368 | 0.70 | CPB2 (0.33) | — | |
| SCHEMBL9805700 | 0.70 | CPB2 (0.33) | — | |
| SCHEMBL28699912 | 0.68 | MME (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5712388-A | Method of preparing a derivative of optically active azetidin-2-one | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1998-01-27 | — | — | US | disclosed |