⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19730586 | 0.86 | — | — | |
| SCHEMBL25823853 | 0.86 | MEN1 (0.32) | — | |
| SCHEMBL23513066 | 0.85 | — | — | |
| SCHEMBL21993492 | 0.85 | — | — | |
| SCHEMBL19380559 | 0.83 | HRH3 (0.31) | — | |
| SCHEMBL18633843 | 0.83 | HRH3 (0.33) | — | |
| SCHEMBL24250666 | 0.80 | — | — | |
| SCHEMBL19960851 | 0.78 | HRH3 (0.33) | — | |
| SCHEMBL25147448 | 0.78 | — | — | |
| SCHEMBL22011389 | 0.77 | CCR2 (0.33) | — |
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-20230357240-A1 | NOVEL N-HETEROCYCLIC BET BROMODOMAIN INHIBITOR, AND PREPARATION METHOD THEREOF AND MEDICAL USE THEREOF | CHENGDU EASTON BIOPHARMACEUTICALS CO LTD (CN) | 2023-11-09 | — | — | US | disclosed |
| US-20230112485-A1 | THERAPEUTIC COMPOUNDS | GENENTECH, INC. (US) | 2023-04-13 | — | — | US | disclosed |
| US-9611268-B2 | Modulators of toll-like receptor 7 | GILEAD SCIENCES, INC. (US) | 2017-04-04 | — | — | US | disclosed |