⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10604262 | 1.00 | — | — | |
| SCHEMBL9104482 | 0.74 | — | — | |
| SCHEMBL8243224 | 0.74 | — | — | |
| SCHEMBL8185322 | 0.74 | — | — | |
| SCHEMBL8185325 | 0.74 | — | — | |
| SCHEMBL11650822 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL11650814 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL8873507 | 0.72 | — | — | |
| SCHEMBL11448673 | 0.70 | ALDH1A1 (0.50) | — | |
| SCHEMBL14810495 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0138558-B1 | PHOSPHOLIPIDS AND THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1989-07-19 | — | — | EP | disclosed |
| US-4775758-A | Phospholipids | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-10-04 | — | — | US | disclosed |
| EP-0138558-A2 | Phospholipids and their production and use | Takeda Chemical Industries, Ltd. (JP) | 1985-04-24 | — | — | EP | disclosed |