⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13626406 | 1.00 | — | — | |
| SCHEMBL13626390 | 0.72 | PTGER2 (0.32) | — | |
| SCHEMBL262126 | 0.72 | — | — | |
| SCHEMBL13626381 | 0.72 | — | — | |
| SCHEMBL2302701 | 0.72 | — | — | |
| SCHEMBL23692529 | 0.70 | — | — | |
| SCHEMBL15163727 | 0.70 | — | — | |
| SCHEMBL18832370 | 0.70 | — | — | |
| SCHEMBL15214691 | 0.70 | — | — | |
| SCHEMBL8283271 | 0.70 | — | — |
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-20090036708-A1 | Novel Process for the Preparation of Nonracemic Long Chain alpha-Amino Acid Derivatives | WUXI PHARMATECH CO., LTD. (CN) | 2009-02-05 | — | — | US | disclosed |