⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL301258 | 0.87 | — | — | |
| SCHEMBL296862 | 0.75 | — | — | |
| Water SCHEMBL440336 | 0.75 | — | — | |
| Water SCHEMBL440337 | 0.75 | — | — | |
| SCHEMBL160487 | 0.71 | — | — | |
| SCHEMBL2935108 | 0.71 | — | — | |
| SCHEMBL9361451 | 0.71 | — | — | |
| SCHEMBL17372998 | 0.71 | — | — | |
| SCHEMBL27705305 | 0.71 | — | — | |
| SCHEMBL729431 | 0.71 | — | — |
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-1404764-A1 | PHOTOSTABLE RUTILE TITANIUM DIOXIDE | Kronos Titan GmbH & Co. Ohg (DE) | 2004-04-07 | — | — | EP | disclosed |
| WO-2003006559-A1 | PHOTOSTABLE RUTILE TITANIUM DIOXIDE | KRONOS TITAN GMBH & CO. OHG (DE) | 2003-01-23 | — | — | WO | disclosed |