⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25573410 | 0.89 | CTSL (0.42) | — | |
| SCHEMBL24710027 | 0.84 | CTSV (0.49) | — | |
| SCHEMBL25134289 | 0.83 | CTSL (0.36) | — | |
| SCHEMBL23824512 | 0.81 | CTSV (0.36) | — | |
| SCHEMBL6515959 | 0.81 | CTSV (0.36) | — | |
| SCHEMBL23824515 | 0.81 | CTSV (0.36) | — | |
| SCHEMBL23506239 | 0.81 | — | — | |
| SCHEMBL24766273 | 0.81 | — | — | |
| SCHEMBL23506543 | 0.81 | — | — | |
| SCHEMBL23722272 | 0.81 | — | — |
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-2022256434-A1 | PROTEASE INHIBITORS AS ANTIVIRALS | ACEA Therapeutics, Inc. (US) | 2022-12-08 | — | — | WO | disclosed |