⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17666005 | 0.99 | — | — | |
| SCHEMBL17646304 | 0.99 | — | — | |
| SCHEMBL17666003 | 0.98 | — | — | |
| SCHEMBL17646414 | 0.98 | — | — | |
| Trifluoroacetic Acid SCHEMBL17646399 | 0.93 | PRSS1 (0.56) | — | |
| Trifluoroacetic Acid SCHEMBL19665702 | 0.93 | PRSS1 (0.56) | — | |
| Trifluoroacetic Acid SCHEMBL17646410 | 0.92 | PRSS1 (0.56) | — | |
| SCHEMBL22909922 | 0.91 | — | — | |
| SCHEMBL17646412 | 0.90 | — | — | |
| SCHEMBL17665989 | 0.90 | — | — |
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-11332464-B2 | Inhibitors of lysine gingipain | Cortexyme, Inc. (US) | 2022-05-17 | — | — | US | disclosed |
| US-20210017167-A1 | INHIBITORS OF LYSINE GINGIPAIN | Cortexyme, Inc. (US) | 2021-01-21 | — | — | US | disclosed |