⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14124528 | 1.00 | — | — | |
| SCHEMBL14124530 | 0.84 | — | — | |
| SCHEMBL14124526 | 0.81 | — | — | |
| SCHEMBL11243113 | 0.67 | — | — | |
| SCHEMBL20778585 | 0.61 | — | — | |
| SCHEMBL14699732 | 0.58 | L3MBTL1 (0.43) | — | |
| SCHEMBL77166 | 0.56 | LMNA (0.30) | — | |
| SCHEMBL7977161 | 0.54 | — | — | |
| SCHEMBL10908775 | 0.54 | — | — | |
| SCHEMBL2517676 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9902748-B2 | Photoactive energetic materials | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2018-02-27 | — | — | US | disclosed |
| US-20160031767-A1 | PHOTOACTIVE ENERGETIC MATERIALS | TRIAD NATIONAL SECURITY, LLC | 2016-02-04 | — | — | US | disclosed |