⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26633927 | 0.59 | — | — | |
| SCHEMBL9923683 | 0.57 | — | — | |
| SCHEMBL498085 | 0.55 | — | — | |
| SCHEMBL29247943 | 0.55 | — | — | |
| SCHEMBL28514286 | 0.55 | — | — | |
| SCHEMBL6051704 | 0.55 | — | — | |
| SCHEMBL9923674 | 0.55 | ACHE (0.40) | — | |
| SCHEMBL31425637 | 0.53 | CA1 (0.34) | — | |
| SCHEMBL17526395 | 0.53 | CA1 (0.33) | — | |
| SCHEMBL3943352 | 0.53 | CA1 (0.33) | — |
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-20090156560-A1 | TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE | 2009-06-18 | — | — | US | claimed |
| EP-2433496-A1 | Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification | Burnham Institute for Medical Research (US) | 2012-03-28 | — | — | EP | disclosed |