⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8316585 | 0.93 | — | — | |
| SCHEMBL233963 | 0.90 | SLC6A2 (0.33) | — | |
| SCHEMBL9802008 | 0.90 | SLC6A2 (0.33) | — | |
| SCHEMBL25434821 | 0.68 | — | — | |
| SCHEMBL128026 | 0.62 | — | — | |
| SCHEMBL4269935 | 0.62 | — | — | |
| SCHEMBL28414632 | 0.62 | ALDH1A1 (0.36) | — | |
| SCHEMBL19752354 | 0.62 | FFAR3 (0.33) | — | |
| SCHEMBL1929396 | 0.62 | — | — | |
| SCHEMBL305703 | 0.62 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024175450-A1 | SUBSTITUTED S-ALANINATE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2024-08-29 | — | — | WO | disclosed |