⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3343841 | 0.68 | — | — | |
| SCHEMBL13306377 | 0.63 | — | — | |
| SCHEMBL2425441 | 0.62 | SCN9A (0.36) | — | |
| SCHEMBL2431770 | 0.54 | APAF1 (0.34) | — | |
| SCHEMBL21379298 | 0.45 | — | — | |
| SCHEMBL18202252 | 0.45 | PARP1 (0.40) | — | |
| SCHEMBL19782733 | 0.44 | KMT2A (0.33) | — | |
| SCHEMBL22014593 | 0.44 | MPO (0.35) | — | |
| SCHEMBL2054538 | 0.44 | MPO (0.42) | — | |
| SCHEMBL8404508 | 0.44 | ELANE (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100160291-A1 | TRICYCLIC SPIRO-OXINDOLE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS | XENON PHARMACEUTICALS INC. (CA) | 2010-06-24 | — | — | US | disclosed |