⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29546215 | 0.87 | — | — | |
| SCHEMBL18895858 | 0.76 | — | — | |
| SCHEMBL10421455 | 0.73 | — | — | |
| SCHEMBL15368822 | 0.72 | — | — | |
| SCHEMBL29833748 | 0.72 | — | — | |
| SCHEMBL31735298 | 0.72 | DUT (0.30) | — | |
| SCHEMBL8447476 | 0.71 | — | — | |
| SCHEMBL27100925 | 0.71 | — | — | |
| SCHEMBL27137655 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL29021481 | 0.70 | — | — |
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-115003667-A | TYK-2 inhibitors | 百济神州有限公司 | 2022-09-02 | — | — | CN | disclosed |