⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17933358 | 0.87 | ALDH1A1 (0.31) | — | |
| SCHEMBL17936302 | 0.84 | SLC7A5 (0.39) | — | |
| SCHEMBL17936294 | 0.84 | SLC7A5 (0.39) | — | |
| SCHEMBL17933350 | 0.83 | GRM8 (0.30) | — | |
| SCHEMBL17933371 | 0.83 | GRM8 (0.30) | — | |
| SCHEMBL16561826 | 0.74 | FDPS (0.31) | — | |
| SCHEMBL20379780 | 0.65 | CA2 (0.33) | — | |
| SCHEMBL17933360 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL16561821 | 0.63 | FDPS (0.32) | — | |
| SCHEMBL17933354 | 0.63 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160207948-A1 | PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES | UNIVERSITY OF SHEFFIELD (GB) | 2016-07-21 | — | — | US | disclosed |
| WO-2015033120-A1 | PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES | UNIVERSITY OF SHEFFIELD (GB) | 2015-03-12 | — | — | WO | disclosed |