⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17661723 | 1.00 | — | — | |
| SCHEMBL17661722 | 1.00 | — | — | |
| SCHEMBL17665981 | 1.00 | — | — | |
| SCHEMBL17646324 | 1.00 | — | — | |
| SCHEMBL17665988 | 0.97 | — | — | |
| SCHEMBL17661739 | 0.97 | — | — | |
| SCHEMBL17661721 | 0.97 | — | — | |
| SCHEMBL17646316 | 0.97 | — | — | |
| Trifluoroacetic Acid SCHEMBL17646376 | 0.94 | PRSS1 (0.53) | — | |
| Trifluoroacetic Acid SCHEMBL19665744 | 0.94 | PRSS1 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016057413-A2 | INHIBITORS OF LYSINE GINGIPAIN | Cortexyme, Inc. (US) | 2016-04-14 | — | — | WO | disclosed |