⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3359802 | 0.79 | — | — | |
| SCHEMBL5524179 | 0.73 | — | — | |
| SCHEMBL10623380 | 0.71 | NFKB1 (0.54) | — | |
| SCHEMBL64716 | 0.71 | — | — | |
| SCHEMBL20178517 | 0.71 | NFKB1 (0.54) | — | |
| SCHEMBL31532163 | 0.71 | — | — | |
| SCHEMBL5028928 | 0.71 | — | — | |
| Oxalic Acid SCHEMBL28123800 | 0.69 | CYP1A2 (0.44) | — | |
| SCHEMBL345509 | 0.69 | — | — | |
| SCHEMBL19464237 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115135150-A | Pesticide granule composition for rice seedling raising box with reduced phytotoxicity | 日商拜耳作物科学股份有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-109310741-A | For preventing and treating organization protection's peptide of disease relevant to tissue damage and obstacle | 阿拉伊姆药品公司 | 2019-02-05 | — | — | CN | disclosed |
| CN-108314652-A | Edaravone derivative and application thereof | 周意 | 2018-07-24 | — | — | CN | disclosed |
| EP-2691376-B1 | FE(III) COMPLEXES FOR THE TREATMENT AND PROPHYLAXIS OF IRON DEFICIENCY SYMPTOMS AND IRON DEFICIENCY ANAEMIAS | VIFOR INT AG (CH) | 2015-12-09 | — | — | EP | disclosed |