⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7138787 | 0.76 | GBA1 (0.38) | — | |
| SCHEMBL249671 | 0.73 | SIGMAR1 (0.42) | — | |
| SCHEMBL27363514 | 0.73 | GNAO1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL8690390 | 0.71 | SIGMAR1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL28238994 | 0.71 | SIGMAR1 (0.41) | — | |
| SCHEMBL9728089 | 0.69 | SIGMAR1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL11715631 | 0.68 | SIGMAR1 (0.52) | — | |
| SCHEMBL15698399 | 0.68 | CA12 (0.40) | — | |
| SCHEMBL16312419 | 0.68 | SIGMAR1 (0.62) | — | |
| SCHEMBL27527086 | 0.68 | — | — |
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-7226950-B2 | Sodium channel modulators | THERAVANCE, INC. (US) | 2007-06-05 | — | — | US | disclosed |