⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36620 | 0.73 | BTN3A1 (0.41) | — | |
| SCHEMBL27295132 | 0.73 | BTN3A1 (0.41) | — | |
| SCHEMBL2607547 | 0.71 | — | — | |
| SCHEMBL15587177 | 0.69 | — | — | |
| SCHEMBL11952598 | 0.69 | — | — | |
| SCHEMBL7260848 | 0.69 | BTN3A1 (0.38) | — | |
| SCHEMBL21433688 | 0.69 | BTN3A1 (0.38) | — | |
| SCHEMBL28509510 | 0.69 | — | — | |
| SCHEMBL62305 | 0.69 | — | — | |
| SCHEMBL3038699 | 0.69 | — | — |
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-20160298153-A1 | Host Cells and Methods for Producing 1-Deoxyxylulose 5-phosphate (DXP) and/or a DXP Derived Compound | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-10-13 | — | — | US | disclosed |