⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6890778 | 1.00 | — | — | |
| SCHEMBL680615 | 1.00 | — | — | |
| SCHEMBL12868788 | 1.00 | — | — | |
| SCHEMBL12869230 | 1.00 | — | — | |
| SCHEMBL7750259 | 1.00 | — | — | |
| SCHEMBL2625455 | 1.00 | — | — | |
| SCHEMBL3047337 | 0.94 | TRPA1 (0.52) | — | |
| SCHEMBL680648 | 0.94 | TRPA1 (0.52) | — | |
| SCHEMBL7752845 | 0.94 | TRPA1 (0.52) | — | |
| SCHEMBL22601293 | 0.94 | TRPA1 (0.52) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11834433-B2 | Compounds | INFLAZOME LIMITED (IE) | 2023-12-05 | — | — | US | disclosed |
| US-20230056447-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-02-23 | — | — | US | disclosed |
| US-8288381-B2 | N-9 substituted purine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2012-10-16 | — | — | US | disclosed |
| US-20120165313-A1 | PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2012-06-28 | — | — | US | disclosed |
| US-20110086841-A1 | N-9 SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | GENENTECH, INC. (US) | 2011-04-14 | — | — | US | disclosed |