⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7128084 | 0.80 | BTN3A1 (0.30) | — | |
| SCHEMBL2904267 | 0.79 | BTN3A1 (0.31) | — | |
| SCHEMBL1085871 | 0.78 | MAPT (0.33) | — | |
| SCHEMBL2079864 | 0.76 | — | — | |
| SCHEMBL2896158 | 0.76 | TPI1 (0.36) | — | |
| SCHEMBL2896162 | 0.76 | TPI1 (0.36) | — | |
| SCHEMBL6070373 | 0.73 | — | — | |
| SCHEMBL1876097 | 0.73 | BACE1 (0.31) | — | |
| SCHEMBL9163997 | 0.71 | BACE1 (0.30) | — | |
| SCHEMBL2163046 | 0.71 | TSHR (0.40) | — |
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-104857005-A | Arginase inhibitors and methods of use thereof | CORRIDOR PHARMACEUTICALS INC | 2015-08-26 | — | — | CN | disclosed |