⚠ 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 | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL2553497 | 1.00 | — | — | |
| Acetoacetic Acid SCHEMBL21955399 | 1.00 | LDHA (0.53) | — | |
| Acetoacetic Acid SCHEMBL28972036 | 0.96 | LDHA (0.57) | — | |
| Acetoacetic Acid SCHEMBL21402364 | 0.96 | — | — | |
| Acetoacetic Acid SCHEMBL649090 | 0.96 | LDHA (0.57) | — | |
| Acetoacetic Acid SCHEMBL31420005 | 0.96 | — | — | |
| Acetoacetic Acid SCHEMBL1144213 | 0.96 | LDHA (0.57) | — | |
| Acetoacetic Acid SCHEMBL1406366 | 0.96 | LDHA (0.57) | — | |
| Acetoacetic Acid SCHEMBL10941648 | 0.96 | LDHA (0.57) | — | |
| Acetoacetic Acid SCHEMBL653110 | 0.96 | LDHA (0.57) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1572818-B1 | SELF-CROSSLINKING AQUEOUS ACETOACETATE-FUNCTIONALIZED SULFONATED ALKYD SYSTEMS | EASTMAN CHEM CO (US) | 2006-06-07 | — | — | EP | claimed |
| JP-2006511669-A | — | — | 2006-04-06 | — | — | JP | claimed |
| EP-1572818-A1 | SELF-CROSSLINKING AQUEOUS ACETOACETATE-FUNCTIONALIZED SULFONATED ALKYD SYSTEMS | EASTMAN CHEMICAL COMPANY (US) | 2005-09-14 | — | — | EP | claimed |
| WO-2004061026-A1 | SELF-CROSSLINKING AQUEOUS ACETOACETATE-FUNCTIONALIZED SULFONATED ALKYD SYSTEMS | EASTMAN CHEMICAL COMPANY (US) | 2004-07-22 | — | — | WO | claimed |
| US-6683132-B1 | COATING COMPRISING MONOFUNCTIONAL CYCLOALIPHATIC SECONDARY AMINE AND POLYFUNCTIONAL PRIMARY AMINE; ADHESIVES, INKS, PRIMERS, AND OVERPRINT VARNISHES | EASTMAN CHEMICAL COMPANY | 2004-01-27 | — | — | US | claimed |