⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13613623 | 0.84 | — | — | |
| SCHEMBL13613414 | 0.79 | MAPT (0.30) | — | |
| SCHEMBL272402 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL13738003 | 0.71 | MEN1 (0.33) | — | |
| SCHEMBL13613412 | 0.69 | — | — | |
| Water SCHEMBL8881776 | 0.68 | MEN1 (0.31) | — | |
| SCHEMBL12342456 | 0.60 | — | — | |
| SCHEMBL16800351 | 0.60 | — | — | |
| SCHEMBL13627216 | 0.58 | — | — | |
| SCHEMBL16136765 | 0.57 | — | — |
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-20090306381-A1 | Mono Amine and Diamine Derivatives of CL-20 | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2009-12-10 | — | — | US | disclosed |
| US-7592448-B2 | Mono amine and diamine derivatives of CL-20 | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDON OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 2009-09-22 | — | — | US | disclosed |