⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14537632 | 0.83 | KCNH2 (0.39) | — | |
| SCHEMBL243531 | 0.82 | — | — | |
| SCHEMBL256691 | 0.79 | — | — | |
| SCHEMBL14554955 | 0.77 | — | — | |
| SCHEMBL973747 | 0.77 | — | — | |
| SCHEMBL5809814 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL1193206 | 0.77 | KCNH2 (0.43) | — | |
| SCHEMBL10077232 | 0.76 | MEN1 (0.40) | — | |
| SCHEMBL20614490 | 0.76 | KCNH2 (0.40) | — | |
| SCHEMBL12414784 | 0.74 | DAO (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024107658-A2 | INHIBITORS OF TYK2 | VYRNWY THERAPEUTICS, INC. (US) | 2024-05-23 | — | — | WO | disclosed |
| WO-2016100166-A1 | SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-c]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-06-23 | — | — | WO | disclosed |