⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8422592 | 0.85 | — | — | |
| SCHEMBL5082326 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL10590969 | 0.83 | ALDH1A1 (0.43) | — | |
| Ammonia Solution, Strong SCHEMBL3111004 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL601259 | 0.78 | — | — | |
| SCHEMBL23429877 | 0.75 | ALDH1A1 (0.40) | — | |
| SCHEMBL2393781 | 0.75 | — | — | |
| SCHEMBL6028302 | 0.75 | — | — | |
| SCHEMBL7196855 | 0.75 | — | — | |
| SCHEMBL2954813 | 0.75 | BHMT (0.32) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002100871-A1 | NEW COMPOUNDS USEFUL IN REFLUX DISEASE | ASTRAZENECA AB (SE) | 2002-12-19 | — | — | WO | claimed |
| US-9993490-B2 | Phosphonic acid compounds and screening method | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2018-06-12 | — | — | US | disclosed |
| US-20170202863-A1 | PHOSPHONIC ACID COMPOUNDS AND SCREENING METHOD | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS | 2017-07-20 | — | — | US | disclosed |
| US-20120016021-A1 | METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS | XENOPORT, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| WO-2012009646-A1 | METHODS OF TREATING FRAGILE X SYNDROME, DOWN'S SYNDROME, AUTISM AND RELATED DISORDERS | XENOPORT, INC. (US) | 2012-01-19 | — | — | WO | disclosed |
| US-20050163841-A1 | Compositions and dosage forms for enhanced absorption of 3-amino-n-butyl-phosphinic acid | ALZA CORPORATION | 2005-07-28 | — | — | US | disclosed |
| WO-2002100871-A1 | NEW COMPOUNDS USEFUL IN REFLUX DISEASE | ASTRAZENECA AB (SE) | 2002-12-19 | — | — | WO | disclosed |