⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22720029 | 0.79 | AR (0.32) | — | |
| SCHEMBL1587165 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL455976 | 0.77 | CA12 (0.32) | — | |
| SCHEMBL18393659 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL7204091 | 0.68 | — | — | |
| SCHEMBL25021 | 0.68 | ALDH1A1 (0.50) | — | |
| SCHEMBL9276992 | 0.67 | CYP2A6 (0.41) | — | |
| SCHEMBL6482087 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL1929910 | 0.67 | — | — | |
| SCHEMBL12816684 | 0.65 | CTSL (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5792840-A | SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES | SANKYO COMPANY, LIMITED (JP) | 1998-08-11 | — | — | US | disclosed |
| EP-0437016-B1 | Lipid A analogues having immunoactivating and anti-tumour activity | SANKYO CO (JP) | 1996-05-01 | — | — | EP | disclosed |
| EP-0437016-A2 | Lipid A analogues having immunoactivating and anti-tumour activity | Sankyo Company Limited (JP) | 1991-07-17 | — | — | EP | disclosed |