⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL59817 | 1.00 | — | — | |
| SCHEMBL14060941 | 0.76 | — | — | |
| SCHEMBL738183 | 0.55 | — | — | |
| SCHEMBL63284 | 0.55 | — | — | |
| SCHEMBL669569 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL21708471 | 0.54 | — | — | |
| SCHEMBL2554291 | 0.47 | — | — | |
| SCHEMBL570870 | 0.47 | — | — | |
| Hydrochloric Acid SCHEMBL504814 | 0.42 | — | — | |
| SCHEMBL61422 | 0.40 | — | — |
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-6033879-A | Process for the preparation of substituted aryl lactic acid containing cyclodepsipeptides with 24 ring atoms | BAYER AKTIENGESELLSCHAFT (DE) | 2000-03-07 | — | — | US | disclosed |