⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL826974 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL28120372 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL29888481 | 0.84 | MAPT (0.40) | — | |
| SCHEMBL30663307 | 0.80 | TPMT (0.57) | — | |
| SCHEMBL8866037 | 0.77 | TRPA1 (0.48) | — | |
| SCHEMBL1380931 | 0.76 | RAB9A (0.41) | — | |
| SCHEMBL142183 | 0.75 | — | — | |
| SCHEMBL1629796 | 0.75 | — | — | |
| SCHEMBL13264388 | 0.74 | NPC1 (0.44) | — | |
| Methylamine SCHEMBL27945126 | 0.74 | TRPA1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106008569-A | Boronates as arginase inhibitors, compositions and applications thereof | 马尔斯公司 | 2016-10-12 | — | — | CN | disclosed |