⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31729223 | 1.00 | — | — | |
| SCHEMBL13502417 | 1.00 | — | — | |
| SCHEMBL108454 | 1.00 | — | — | |
| SCHEMBL31010898 | 1.00 | — | — | |
| SCHEMBL25660367 | 1.00 | — | — | |
| SCHEMBL497637 | 1.00 | — | — | |
| SCHEMBL25083538 | 1.00 | — | — | |
| SCHEMBL31010899 | 1.00 | — | — | |
| Leucine SCHEMBL2900056 | 0.84 | SLC7A5 (0.95) | — | |
| Leucine SCHEMBL2900058 | 0.84 | SLC7A5 (0.95) | — |
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-20100273659-A1 | Nitrilases, Nucleic Acids Encoding Them and Methods for Making and Using Them | VERENIUM CORPORATION (US) | 2010-10-28 | — | — | US | disclosed |