⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5850205 | 0.76 | GABRA1 (0.33) | — | |
| SCHEMBL5250088 | 0.72 | — | — | |
| SCHEMBL7304304 | 0.64 | — | — | |
| SCHEMBL5254831 | 0.53 | GABRA1 (0.34) | — | |
| SCHEMBL3785333 | 0.53 | TSHR (0.50) | — | |
| SCHEMBL127123 | 0.52 | TAAR1 (0.50) | — | |
| SCHEMBL9622386 | 0.50 | TP53 (0.43) | — | |
| SCHEMBL147453 | 0.50 | CES2 (0.32) | — | |
| SCHEMBL11240113 | 0.50 | CYP3A4 (0.42) | — | |
| SCHEMBL9194828 | 0.50 | TSHR (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 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 |