⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1793810 | 1.00 | — | — | |
| Ethylene SCHEMBL10577596 | 0.96 | MCL1 (0.43) | — | |
| SCHEMBL3968327 | 0.93 | MCL1 (0.53) | — | |
| SCHEMBL9931272 | 0.93 | MCL1 (0.53) | — | |
| SCHEMBL1792301 | 0.93 | MCL1 (0.53) | — | |
| SCHEMBL27904698 | 0.91 | MCL1 (0.52) | — | |
| SCHEMBL21477523 | 0.91 | MCL1 (0.52) | — | |
| SCHEMBL17301598 | 0.91 | MCL1 (0.52) | — | |
| SCHEMBL16058946 | 0.85 | — | — | |
| SCHEMBL22468834 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020102096-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY | NOVARTIS INFLAMMASOME RESEARCH, INC. (US) | 2020-05-22 | — | — | WO | disclosed |
| US-20160248025-A1 | Organic Electroluminescent Device | UDC IRELAND LTD (IE) | 2016-08-25 | — | — | US | disclosed |