⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9696665 | 0.95 | — | — | |
| SCHEMBL6013507 | 0.95 | — | — | |
| SCHEMBL9117261 | 0.95 | — | — | |
| SCHEMBL27074401 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL28116812 | 0.90 | — | — | |
| SCHEMBL27691060 | 0.90 | — | — | |
| SCHEMBL15547959 | 0.89 | TDP1 (0.31) | — | |
| SCHEMBL15547958 | 0.89 | TDP1 (0.31) | — | |
| SCHEMBL6244 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL28829446 | 0.86 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009016230-A2 | CEMENT-BASED GROUT COMPOSITION | CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) | 2009-02-05 | — | — | WO | disclosed |