⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2224193 | 0.77 | — | — | |
| SCHEMBL4228295 | 0.69 | — | — | |
| SCHEMBL29212862 | 0.67 | — | — | |
| SCHEMBL700570 | 0.56 | — | — | |
| SCHEMBL13318805 | 0.54 | — | — | |
| SCHEMBL3298482 | 0.52 | NLRP3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL3746492 | 0.51 | NLRP3 (0.31) | — | |
| SCHEMBL8378095 | 0.47 | MEN1 (0.75) | — | |
| SCHEMBL30620980 | 0.47 | MEN1 (0.75) | — | |
| SCHEMBL1332061 | 0.47 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1996919-A2 | DIFFERENTIAL REFLECTION SPECTROSCOPY SYSTEM AND METHOD FOR DETECTING EXPLOSIVES AND OTHER TARGET MATERIALS | University of Florida Research Foundation, Incorporated (US) | 2008-12-03 | — | — | EP | disclosed |
| WO-2008021586-A2 | DIFFERENTIAL REFLECTION SPECTROSCOPY SYSTEM AND METHOD FOR DETECTING EXPLOSIVES AND OTHER TARGET MATERIALS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2008-02-21 | — | — | WO | disclosed |