⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1968528 | 1.00 | — | — | |
| SCHEMBL570226 | 0.75 | — | — | |
| SCHEMBL891838 | 0.72 | — | — | |
| SCHEMBL8468504 | 0.72 | — | — | |
| SCHEMBL28286901 | 0.71 | — | — | |
| SCHEMBL6007869 | 0.68 | GPR84 (0.32) | — | |
| SCHEMBL6005092 | 0.68 | GPR84 (0.32) | — | |
| SCHEMBL8613716 | 0.68 | GPR84 (0.32) | — | |
| SCHEMBL6008003 | 0.68 | GPR84 (0.32) | — | |
| SCHEMBL7510460 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105820062-A | N-(1-oxo-4-hydroxy-2-butenyl)aminoacetamide compound and preparation method and application thereof | 哈尔滨三联药业股份有限公司 | 2016-08-03 | — | — | CN | claimed |
| CN-105820062-A | N-(1-oxo-4-hydroxy-2-butenyl)aminoacetamide compound and preparation method and application thereof | 哈尔滨三联药业股份有限公司 | 2016-08-03 | — | — | CN | disclosed |
| EP-0896582-A1 | NON-DENDRITIC BACKBONE PEPTIDE CARRIER | Pepresearch A/S (DK) | 1999-02-17 | — | — | EP | disclosed |
| WO-1997038011-A1 | NON-DENDRITIC BACKBONE PEPTIDE CARRIER | PEPRESEARCH A/S (DK) | 1997-10-16 | — | — | WO | disclosed |