⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20622632 | 0.76 | NFKB1 (0.30) | — | |
| SCHEMBL3164284 | 0.75 | — | — | |
| SCHEMBL245714 | 0.73 | — | — | |
| SCHEMBL11831957 | 0.71 | — | — | |
| SCHEMBL16106191 | 0.69 | — | — | |
| SCHEMBL16106187 | 0.69 | — | — | |
| SCHEMBL13544783 | 0.69 | — | — | |
| Chloromethane SCHEMBL10874359 | 0.68 | — | — | |
| SCHEMBL1940539 | 0.67 | — | — | |
| SCHEMBL11122193 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4992585-A | Reacting N-methylacetoacetamide with chlorie to produce A-chloro-N-methyl acetoacetamide | CIBA-GEIGY CORPORATION (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0005849-B2 | PROCESS FOR PREPARING ALPHA-CHLORO-N-MONOALKYL-ACETOACETAMIDES | Wacker-Chemie GmbH (DE) | 1986-07-16 | — | — | EP | disclosed |
| EP-0005849-B1 | PROCESS FOR PREPARING ALPHA-CHLORO-N-MONOALKYL-ACETOACETAMIDES | Wacker-Chemie GmbH (DE) | 1981-10-21 | — | — | EP | disclosed |
| US-4235818-A | Process for producing alpha-monochloroacetoacetic acid monomethylamide | CIBA-GEIGY CORPORATION (US) | 1980-11-25 | — | — | US | disclosed |
| US-4207259-A | WATER AS SOLVENT | WACKER-CHEMIE GMBH (DE) | 1980-06-10 | — | — | US | disclosed |
| EP-0005849-A1 | Process for preparing alpha-chloro-N-monoalkyl-acetoacetamides | Wacker-Chemie GmbH (DE) | 1979-12-12 | — | — | EP | disclosed |