⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29937902 | 0.88 | — | — | |
| SCHEMBL29937988 | 0.86 | — | — | |
| SCHEMBL29937871 | 0.70 | HTR1A (0.43) | — | |
| SCHEMBL19779083 | 0.70 | POLRMT (0.35) | — | |
| SCHEMBL17106728 | 0.69 | DOT1L (0.33) | — | |
| SCHEMBL19101885 | 0.67 | TMPRSS2 (0.37) | — | |
| SCHEMBL25224367 | 0.66 | — | — | |
| SCHEMBL24487743 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL25400732 | 0.65 | DOT1L (0.38) | — | |
| SCHEMBL16708478 | 0.65 | TMPRSS2 (0.39) | — |
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-111233869-B | Novel compound for preparing Rudexilvir key intermediate and preparation method thereof | 杭州新博思生物医药有限公司 | 2022-09-16 | — | — | CN | disclosed |