⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23105083 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL8259424 | 0.73 | GRIN2D (0.31) | — | |
| SCHEMBL23105325 | 0.72 | — | — | |
| SCHEMBL19362497 | 0.69 | — | — | |
| SCHEMBL21214228 | 0.68 | MAOB (0.38) | — | |
| SCHEMBL12359984 | 0.68 | — | — | |
| SCHEMBL23417031 | 0.67 | GRIN2D (0.31) | — | |
| SCHEMBL85331 | 0.66 | CYP2B6 (0.36) | — | |
| SCHEMBL12359962 | 0.66 | CYP2B6 (0.31) | — | |
| SCHEMBL12359983 | 0.65 | HSD11B1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021155050-A1 | KINASE MODULATORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS | BIOTHERYX, INC. (US) | 2021-08-05 | — | — | WO | disclosed |
| WO-2021119571-A1 | PDE4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS | BIOTHERYX, INC. (US) | 2021-06-17 | — | — | WO | disclosed |
| WO-2021051034-A1 | RAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS | BIOTHERYX, INC. (US) | 2021-03-18 | — | — | WO | disclosed |