⚠ 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 | |
|---|---|---|---|---|
| Phosphonic Acid SCHEMBL1966297 | 0.83 | — | — | |
| SCHEMBL5827 | 0.80 | — | — | |
| Phosphonic Acid SCHEMBL8160314 | 0.80 | THRB (0.30) | — | |
| Phosphonic Acid SCHEMBL7864029 | 0.79 | TSHR (0.57) | — | |
| SCHEMBL17422883 | 0.77 | TSHR (0.33) | — | |
| Methane SCHEMBL11824338 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL2033177 | 0.76 | — | — | |
| Phosphonic Acid SCHEMBL31467740 | 0.76 | — | — | |
| SCHEMBL10837009 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL31460611 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000510455-A | — | — | 2000-08-15 | — | — | JP | claimed |
| EP-0896540-A1 | USE OF PHOSPHONIC ACID ESTERS FOR THE TREATMENT OF FUNCTIONAL DISORDERS OF THE BRAIN AND DEPRESSION | Troponwerke GmbH & Co. KG (DE) | 1999-02-17 | — | — | EP | claimed |
| EP-0896540-A1 | USE OF PHOSPHONIC ACID ESTERS FOR THE TREATMENT OF FUNCTIONAL DISORDERS OF THE BRAIN AND DEPRESSION | Troponwerke GmbH & Co. KG (DE) | 1999-02-17 | — | — | EP | disclosed |