⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL791008 | 0.88 | — | — | |
| SCHEMBL7523749 | 0.67 | — | — | |
| SCHEMBL9847507 | 0.65 | — | — | |
| Propane SCHEMBL28015864 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL29768258 | 0.64 | — | — | |
| SCHEMBL21052521 | 0.64 | TSHR (0.33) | — | |
| Propane SCHEMBL25366971 | 0.63 | — | — | |
| Tetramethylammonium Ion SCHEMBL28244348 | 0.63 | — | — | |
| Propane SCHEMBL23590 | 0.63 | — | — | |
| Dimethylamine SCHEMBL3407443 | 0.62 | — | — |
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-20090131384-A1 | COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS | SYNDEXA PHARMACEUTICALS CORPORATION (US) | 2009-05-21 | — | — | US | disclosed |