⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3373846 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL11670299 | 0.72 | — | — | |
| SCHEMBL11281030 | 0.69 | — | — | |
| SCHEMBL10904348 | 0.65 | — | — | |
| Butane SCHEMBL1502084 | 0.64 | — | — | |
| SCHEMBL10903054 | 0.64 | TP53 (0.37) | — | |
| SCHEMBL3373848 | 0.64 | — | — | |
| SCHEMBL3377643 | 0.64 | — | — | |
| SCHEMBL11140344 | 0.62 | — | — | |
| SCHEMBL180785 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1756125-B1 | 1,1,3,3,3-PENTAAMINO-1-OXO/THIO-1LAMBDA5,3LAMBDA5-DIPHOSPHAZ-2-ENES, METHOD FOR PRODUCING THEM AND THEIR USE AS AGENTS FOR REGULATING OR INHIBITING ENZYMATIC HYDROLYSIS OF UREA | PIESTERITZ STICKSTOFF (DE) | 2010-11-10 | — | — | EP | disclosed |
| EP-1756125-A1 | 1,1,3,3,3-PENTAAMINO-1LAMBDA5,3LAMBDA5-DIPHOSPHAZ-2-ENES, METHOD FOR PRODUCING THEM AND THEIR USE AS AGENTS FOR REGULATING OR INHIBITING ENZYMATIC HYDROLYSIS OF UREA | SKW STICKSTOFFWERKE PIESTERITZ GmbH (DE) | 2007-02-28 | — | — | EP | disclosed |
| WO-2005118602-A1 | 1,1,3,3,3-PENTAAMINO-1λ5,3λ5-DIPHOSPHAZ-2-ENES, METHOD FOR PRODUCING THEM AND THEIR USE AS AGENTS FOR REGULATING OR INHIBITING ENZYMATIC HYDROLYSIS OF UREA | SKW STICKSTOFFWERKE PIESTERITZ GMBH (DE) | 2005-12-15 | — | — | WO | disclosed |