⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25289555 | 1.00 | — | — | |
| SCHEMBL25717646 | 0.76 | SLC5A1 (0.32) | — | |
| SCHEMBL29328231 | 0.72 | HTR2A (0.32) | — | |
| SCHEMBL25214918 | 0.70 | — | — | |
| SCHEMBL25217406 | 0.68 | — | — | |
| SCHEMBL29328234 | 0.65 | — | — | |
| SCHEMBL25717632 | 0.65 | — | — | |
| SCHEMBL25754513 | 0.64 | SLC5A1 (0.31) | — | |
| SCHEMBL27376944 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL30377309 | 0.64 | HTR2A (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023097194-A2 | THERAPEUTIC COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2023-06-01 | — | — | WO | disclosed |