⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13839005 | 0.79 | EPHX1 (0.32) | — | |
| SCHEMBL14024245 | 0.77 | — | — | |
| SCHEMBL10927930 | 0.77 | — | — | |
| SCHEMBL12386520 | 0.74 | PDK1 (0.32) | — | |
| SCHEMBL28554248 | 0.73 | — | — | |
| SCHEMBL24474440 | 0.71 | — | — | |
| SCHEMBL18163823 | 0.70 | — | — | |
| SCHEMBL1145639 | 0.63 | — | — | |
| SCHEMBL18541719 | 0.63 | — | — | |
| SCHEMBL3391138 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0069968-B1 | PHOSPHOLIPIDS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THESE COMPOUNDS | Roche Diagnostics GmbH (DE) | 1985-11-21 | — | — | EP | disclosed |
| US-4492659-A | Phospholipid compound | BOEHRINGER MANNHEIM GMBH (DE) | 1985-01-08 | — | — | US | disclosed |