⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3032701 | 0.79 | — | — | |
| SCHEMBL562266 | 0.74 | — | — | |
| SCHEMBL7926845 | 0.74 | PDPK1 (0.47) | — | |
| SCHEMBL6672416 | 0.74 | — | — | |
| SCHEMBL30471167 | 0.73 | — | — | |
| SCHEMBL1858044 | 0.73 | — | — | |
| SCHEMBL30478958 | 0.73 | — | — | |
| SCHEMBL13729391 | 0.72 | CNR2 (0.43) | — | |
| SCHEMBL29980105 | 0.72 | CA2 (0.39) | — | |
| Hydrochloric Acid SCHEMBL10436896 | 0.71 | CCNC (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |
| US-20100035929-A1 | UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF | VANDERBILT UNIVERSITY | 2010-02-11 | — | — | US | disclosed |
| WO-2009152071-A1 | UNNATURAL DISPYRIN ANALOGUES, PREPARATION AND USES THEREOF | VANDERBILT UNIVERSITY (US) | 2009-12-17 | — | — | WO | disclosed |
| WO-2007107319-A1 | ISOLATION, STRUCTURE DETERMINATION, SYNTHESIS AND BIOACTIVITY OF DAMIPIPECOLIN AND DAMITURICIN | BIOTECMARIN GMBH (DE) | 2007-09-27 | — | — | WO | disclosed |