⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27876469 | 1.00 | — | — | |
| SCHEMBL8840579 | 1.00 | — | — | |
| Water SCHEMBL84068 | 0.71 | — | — | |
| Water SCHEMBL21058326 | 0.71 | — | — | |
| Water SCHEMBL4552439 | 0.71 | — | — | |
| Water SCHEMBL23501481 | 0.71 | — | — | |
| Water SCHEMBL2335537 | 0.71 | — | — | |
| Water SCHEMBL23162360 | 0.71 | — | — | |
| Water SCHEMBL21058324 | 0.71 | — | — | |
| Potassium Ion SCHEMBL25364189 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2012035542-A1 | CATALYST COMPOSITION (ICAT-3) COMPRISING OF TRANSITION METAL SUPPORTED ON ACIDIFIED ANATASE TITANIA | YADAV GANAPATI DADASAHEB (IN) | 2012-03-22 | — | — | WO | claimed |
| CN-112563426-B | Organic electroluminescent device, method of manufacturing the same, and display apparatus including the same | 江苏三月科技股份有限公司 | 2022-08-12 | — | — | CN | disclosed |