⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2989454 | 0.80 | NPC1 (0.62) | — | |
| SCHEMBL10801184 | 0.80 | NPC1 (0.62) | — | |
| SCHEMBL270008 | 0.79 | — | — | |
| SCHEMBL9978657 | 0.77 | — | — | |
| SCHEMBL947177 | 0.77 | — | — | |
| Allylamine SCHEMBL8079797 | 0.77 | MEN1 (0.58) | — | |
| SCHEMBL4651571 | 0.76 | MEN1 (0.56) | — | |
| Allylamine SCHEMBL27777717 | 0.75 | MEN1 (0.56) | — | |
| SCHEMBL229329 | 0.75 | NPC1 (1.00) | — | |
| SCHEMBL229328 | 0.75 | NPC1 (1.00) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008016643-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-02-07 | — | — | WO | claimed |
| WO-2008016643-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INCORPORATED (US) | 2008-02-07 | — | — | WO | disclosed |
| EP-0442922-A1 | SURFACE PLASMON RESONANCE SENSOR UNIT AND ITS USE IN BIOSENSOR SYSTEMS. | PHARMACIA BIOSENSOR AB (SE) | 1991-08-28 | — | — | EP | disclosed |
| WO-1990005305-A1 | SURFACE PLASMON RESONANCE SENSOR UNIT AND ITS USE IN BIOSENSOR SYSTEMS | PHARMACIA AB (SE) | 1990-05-17 | — | — | WO | disclosed |