⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20689679 | 0.87 | HSP90AA1 (0.32) | — | |
| SCHEMBL20688924 | 0.82 | KDM4E (0.44) | — | |
| SCHEMBL21948221 | 0.82 | IRAK4 (0.33) | — | |
| SCHEMBL20678811 | 0.81 | KDM4E (0.41) | — | |
| SCHEMBL20689134 | 0.81 | PAX8 (0.31) | — | |
| SCHEMBL20627800 | 0.81 | GSK3B (0.32) | — | |
| SCHEMBL25069828 | 0.81 | SUV39H2 (0.34) | — | |
| SCHEMBL20689492 | 0.80 | DPP4 (0.30) | — | |
| SCHEMBL20687904 | 0.79 | TYK2 (0.37) | — | |
| SCHEMBL20689057 | 0.79 | MALT1 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220177486-A1 | TYK2 INHIBITORS AND USES THEREOF | ALUMIS INC. | 2022-06-09 | — | — | US | disclosed |
| US-10562907-B2 | TYK2 inhibitors and uses thereof | Nimbus Lakshimi, Inc. (US) | 2020-02-18 | — | — | US | disclosed |
| US-20190248797-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-08-15 | — | — | US | disclosed |