⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17756695 | 0.71 | — | — | |
| SCHEMBL9775047 | 0.71 | — | — | |
| SCHEMBL376948 | 0.71 | — | — | |
| SCHEMBL9806204 | 0.71 | — | — | |
| SCHEMBL5315232 | 0.69 | — | — | |
| SCHEMBL10641359 | 0.68 | EPHX1 (0.36) | — | |
| SCHEMBL5314129 | 0.67 | — | — | |
| SCHEMBL5315787 | 0.67 | — | — | |
| SCHEMBL9807706 | 0.67 | MGAM (0.31) | — | |
| SCHEMBL5316351 | 0.65 | — | — |
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-0685454-B1 | X-ray opaque dental materials | IVOCLAR AG (LI) | 1997-10-15 | — | — | EP | claimed |
| WO-1990015084-A1 | INITIATING PROCESS AND SYSTEM FOR THE ANIONIC POLYMERISATION OF ACRYLIC MONOMERS | ATOCHEM (FR) | 1990-12-13 | — | — | WO | disclosed |