⚠ 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 | |
|---|---|---|---|---|
| Propyne SCHEMBL29032103 | 0.85 | LMNA (0.38) | — | |
| Propionamide SCHEMBL30503028 | 0.79 | — | — | |
| Oxamate SCHEMBL30634939 | 0.79 | LDHA (0.56) | — | |
| Urea SCHEMBL11071285 | 0.78 | — | — | |
| Bicarbonate SCHEMBL165021 | 0.78 | — | — | |
| Urea SCHEMBL4556929 | 0.75 | — | — | |
| Bicarbonate SCHEMBL5083426 | 0.75 | CA1 (0.42) | — | |
| Oxalic Acid SCHEMBL28897646 | 0.75 | FFAR3 (0.36) | — | |
| Urea SCHEMBL8076197 | 0.75 | — | — | |
| Urea SCHEMBL28100353 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-59021686-A | — | — | None | — | — | JP | disclosed |
| CN-101460533-B | Reverse phase microcapsules for active ingredients, simplified preparation method thereof and combination formulations WDG-CS, ZC, EC-SC and CX | GAT MICROENCAPSULATION AG | 2013-10-23 | — | — | CN | disclosed |
| CN-101460534-B | Microcapsules comprising an acetyleneurea-polyurea polymer and controlled release formulations thereof | GAT MICROENCAPSULATION AG | 2013-10-23 | — | — | CN | disclosed |
| CN-101460534-A | Microcapsules comprising an acetyleneurea-polyurea polymer and controlled release formulations thereof | GAT MICROENCAPSULATION AG (AT) | 2009-06-17 | — | — | CN | disclosed |
| JP-S5921686-A | ACETYLENE CARBAMIDE DERIVATIVE, ITS PREPARATION AND POLYMER ANTIOXIDANT CONTAINING SAID DERIVATIVE AS ACTIVE COMPONENT | SUMITOMO CHEM CO LTD | 1984-02-03 | — | — | JP | disclosed |