⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3286850 | 0.72 | — | — | |
| SCHEMBL9284610 | 0.72 | — | — | |
| SCHEMBL139925 | 0.67 | — | — | |
| SCHEMBL3784264 | 0.67 | — | — | |
| SCHEMBL364348 | 0.67 | — | — | |
| SCHEMBL3019375 | 0.67 | — | — | |
| SCHEMBL9098453 | 0.63 | — | — | |
| SCHEMBL9094601 | 0.63 | — | — | |
| SCHEMBL3002264 | 0.63 | — | — | |
| SCHEMBL10339469 | 0.63 | — | — |
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-0912495-A1 | ASYMETRIC SYNTHESIS OF CHIRAL BETA-AMINO ACIDS | G.D. SEARLE & CO. (US) | 1999-05-06 | — | — | EP | disclosed |
| WO-1998002410-A1 | ASYMETRIC SYNTHESIS OF CHIRAL BETA-AMINO ACIDS | G.D. SEARLE & CO. (US) | 1998-01-22 | — | — | WO | disclosed |