⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2998047 | 0.82 | — | — | |
| SCHEMBL9013478 | 0.78 | TDP1 (0.46) | — | |
| SCHEMBL1205138 | 0.73 | — | — | |
| SCHEMBL7481553 | 0.73 | — | — | |
| SCHEMBL15068135 | 0.73 | — | — | |
| SCHEMBL29227025 | 0.70 | ERN1 (0.35) | — | |
| SCHEMBL5950715 | 0.70 | — | — | |
| SCHEMBL7931757 | 0.70 | — | — | |
| SCHEMBL29049267 | 0.70 | MEN1 (0.32) | — | |
| SCHEMBL127281 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117943121-A | Composite I-COFs/TiO2Photocatalyst and preparation method thereof | 成都理工大学 | 2024-04-30 | — | — | CN | claimed |
| CN-118185916-A | Alkaline protease inhibitor, screening method and application thereof | 天津科技大学 | 2024-06-14 | — | — | CN | disclosed |
| CN-117943121-A | Composite I-COFs/TiO2Photocatalyst and preparation method thereof | 成都理工大学 | 2024-04-30 | — | — | CN | disclosed |
| CN-1361816-B | Metal complexes of tripodal ligands | CIBA SC HOLDING AG | 2010-05-26 | — | — | CN | disclosed |
| EP-1362844-B1 | BENZYLAMINE ANALOGUE | BTG INT LTD (GB) | 2007-12-05 | — | — | EP | disclosed |
| CN-1361816-A | Metal complexes of tripodal ligands | CIBA SC HOLDING AG (CH) | 2002-07-31 | — | — | CN | disclosed |
| CN-1343198-A | Manganese complexes of salen ligands and the use thereof | CIBA SC HOLDING AG (CH) | 2002-04-03 | — | — | CN | disclosed |