⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9340018 | 0.80 | CA2 (0.40) | — | |
| SCHEMBL29910639 | 0.79 | CA2 (0.43) | — | |
| SCHEMBL12452756 | 0.76 | ABCC9 (0.33) | — | |
| SCHEMBL9561891 | 0.73 | — | — | |
| SCHEMBL10180979 | 0.73 | LMNA (0.33) | — | |
| SCHEMBL9561893 | 0.70 | — | — | |
| SCHEMBL1524219 | 0.69 | CA2 (0.38) | — | |
| SCHEMBL6864920 | 0.69 | CA2 (0.38) | — | |
| SCHEMBL7630351 | 0.69 | CA2 (0.38) | — | |
| SCHEMBL9609358 | 0.68 | ABCC9 (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 |
|---|---|---|---|---|---|---|---|
| EP-0545430-A1 | Dielectric liquids | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1993-06-09 | — | — | EP | disclosed |
| US-5159527-A | Homogeneity mixture of fluorinated liquid and fluorine containing sulfonate and sulfonamide | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1992-10-27 | — | — | US | disclosed |