⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4728132 | 0.79 | SCN9A (0.39) | — | |
| SCHEMBL2305395 | 0.79 | SCN9A (0.39) | — | |
| SCHEMBL3330869 | 0.73 | DAO (0.34) | — | |
| SCHEMBL3333371 | 0.73 | PDK2 (0.35) | — | |
| SCHEMBL4728678 | 0.72 | SCN9A (0.43) | — | |
| SCHEMBL3329040 | 0.72 | SCN9A (0.33) | — | |
| SCHEMBL28942776 | 0.72 | NPY5R (0.33) | — | |
| SCHEMBL17160823 | 0.69 | — | — | |
| SCHEMBL16752593 | 0.66 | JAK2 (0.33) | — | |
| SCHEMBL3330908 | 0.64 | EGFR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008046087-A2 | SPIRO COMPOUNDS AND THEIR USES AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2008-04-17 | — | — | WO | disclosed |