⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28138570 | 0.80 | — | — | |
| SCHEMBL21776623 | 0.78 | — | — | |
| Water SCHEMBL28226325 | 0.78 | MMP1 (0.39) | — | |
| SCHEMBL28434983 | 0.78 | TGFBR1 (0.37) | — | |
| SCHEMBL7503885 | 0.77 | CA2 (0.38) | — | |
| SCHEMBL13036241 | 0.74 | — | — | |
| SCHEMBL862258 | 0.74 | — | — | |
| SCHEMBL50404 | 0.74 | — | — | |
| SCHEMBL11608157 | 0.73 | GAA (0.42) | — | |
| SCHEMBL29070910 | 0.73 | SLC22A6 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8795618-B2 | Chemical compounds for the removal of carbon dioxide from gases | BABCOCK & WILCOX POWER GENERATION GROUP, INC. (US) | 2014-08-05 | — | — | US | disclosed |
| US-20110232490-A1 | CHEMICAL COMPOUNDS FOR THE REMOVAL OF CARBON DIOXIDE FROM GASES | B. RILEY FINANCIAL, INC. | 2011-09-29 | — | — | US | disclosed |
| EP-2368622-A1 | Chemical compounds for the removal of carbon dioxide from gases | Babcock & Wilcox Power Generation Group, Inc. (US) | 2011-09-28 | — | — | EP | disclosed |
| US-5948780-A | ADMINISTERING A METALLOPROTEINASE INHIBITOR | WARNER-LAMBERT COMPANY (US) | 1999-09-07 | — | — | US | disclosed |
| US-5672615-A | MATRIX-DEGRADING METALLOPROTEINASE INHIBITORS | NOVARTIS CORPORATION (US) | 1997-09-30 | — | — | US | disclosed |