⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29062683 | 1.00 | — | — | |
| SCHEMBL34468089 | 1.00 | — | — | |
| SCHEMBL24020648 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL29736932 | 0.99 | — | — | |
| SCHEMBL24108850 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL29609036 | 0.92 | — | — | |
| SCHEMBL23824548 | 0.91 | NOD1 (0.38) | — | |
| SCHEMBL23824546 | 0.91 | NOD1 (0.38) | — | |
| SCHEMBL29062974 | 0.91 | NOD1 (0.38) | — | |
| SCHEMBL30310765 | 0.91 | NOD1 (0.38) | — |
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-116685576-A | Cysteine protease inhibitors and methods of use thereof | 美商帕迪斯生物科学公司 | 2023-09-01 | — | — | CN | disclosed |