⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17936293 | 0.87 | CYP3A4 (0.42) | — | |
| SCHEMBL17933342 | 0.78 | PTPRC (0.30) | — | |
| SCHEMBL17933344 | 0.75 | HSD17B10 (0.31) | — | |
| SCHEMBL17933343 | 0.72 | FDPS (0.38) | — | |
| SCHEMBL17933334 | 0.71 | FDPS (0.36) | — | |
| SCHEMBL17933371 | 0.71 | GRM8 (0.30) | — | |
| SCHEMBL17933350 | 0.71 | GRM8 (0.30) | — | |
| SCHEMBL14338236 | 0.70 | ADORA3 (0.39) | — | |
| SCHEMBL17933353 | 0.70 | CYP1A2 (0.36) | — | |
| SCHEMBL17933352 | 0.70 | PTPRC (0.31) | — |
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-20160207948-A1 | PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES | UNIVERSITY OF SHEFFIELD (GB) | 2016-07-21 | — | — | US | disclosed |