⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8034630 | 0.85 | — | — | |
| SCHEMBL15231693 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL16717505 | 0.79 | SLC1A2 (0.33) | — | |
| SCHEMBL4434529 | 0.79 | — | — | |
| SCHEMBL16627949 | 0.76 | — | — | |
| SCHEMBL16798170 | 0.76 | — | — | |
| SCHEMBL7256823 | 0.75 | FFAR3 (0.32) | — | |
| SCHEMBL2349667 | 0.72 | — | — | |
| SCHEMBL20912996 | 0.72 | SLC1A2 (0.30) | — | |
| SCHEMBL906700 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117756801-A | Preparation method of non-neridrone | 江苏海洋大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-117700337-A | Preparation method of high-purity ethyl 2-cyano acetoacetate | 安徽金禾化学材料研究所有限公司 | 2024-03-15 | — | — | CN | disclosed |
| CN-111909137-B | Pyridazinone derivative and application thereof | 深圳微芯生物科技股份有限公司 | 2023-05-30 | — | — | CN | disclosed |
| CN-109651424-B | Synthesis method of 7-protecting group-4- (1-hydrogen-pyrazol-4-yl) pyrrole [2,3-d ] pyrimidine | 新发药业有限公司 | 2021-01-22 | — | — | CN | disclosed |
| WO-2020228577-A1 | PYRIDAZINONE DERIVATIVE AND USE THEREOF | 深圳微芯生物科技股份有限公司 | 2020-11-19 | — | — | WO | disclosed |
| CN-103130711-A | Preparation method of clevidipine butyrate | DONG HUIFANG | 2013-06-05 | — | — | CN | disclosed |
| JP-2001261673-A | CYANO COMPOUND AND METHOD OF PRODUCING THE SAME | DAICEL CHEM IND LTD | 2001-09-26 | — | — | JP | disclosed |
| CN-1173132-A | Dihydropyrimidine compounds and application thereof | SYNAPTIC PHARMACEUTIC CORP (US) | 1998-02-11 | — | — | CN | disclosed |
| US-4644010-A | ANALGESICS, ANTIARTHRITIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1987-02-17 | — | — | US | disclosed |
| US-4435407-A | ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS; IMMUNOMODULATORS | CIBA-GEIGY CORPORATION (US) | 1984-03-06 | — | — | US | disclosed |