⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8928306 | 0.69 | — | — | |
| SCHEMBL6682736 | 0.69 | — | — | |
| SCHEMBL351094 | 0.69 | — | — | |
| SCHEMBL351093 | 0.69 | — | — | |
| Allylamine SCHEMBL28859107 | 0.67 | ALDH1A1 (0.60) | — | |
| Allylamine SCHEMBL1441821 | 0.67 | — | — | |
| Phosphonic Acid SCHEMBL3767316 | 0.65 | GLRA1 (0.33) | — | |
| Phosphonic Acid SCHEMBL31406934 | 0.65 | GLRA1 (0.33) | — | |
| Allylamine SCHEMBL27872436 | 0.65 | — | — | |
| Phosphonic Acid SCHEMBL28421663 | 0.62 | GLRA1 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5593659-A | IN THE FORM OF PHYSIOLOGICALLY ACCEPTABLE SALTS; MEDICAL DIAGNOSIS; WATER SOLUBLE, NONTOXIC | CONCAT, LTD. (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0513000-B1 | MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS | CONCAT LTD (US) | 1996-07-31 | — | — | EP | disclosed |
| US-5380515-A | CONTRAST | CONCAT, LTD. (US) | 1995-01-10 | — | — | US | disclosed |
| US-5236695-A | Medical diagnosis | CONCAT, LTD. (US) | 1993-08-17 | — | — | US | disclosed |