⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14964575 | 1.00 | — | — | |
| SCHEMBL14964655 | 1.00 | — | — | |
| SCHEMBL1805415 | 0.82 | — | — | |
| SCHEMBL1801684 | 0.82 | — | — | |
| SCHEMBL6370939 | 0.78 | — | — | |
| SCHEMBL12621538 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL16234265 | 0.77 | — | — | |
| SCHEMBL9161862 | 0.74 | — | — | |
| SCHEMBL9786005 | 0.74 | — | — | |
| SCHEMBL14965125 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013071412-A1 | METHODS FOR THE SYNTHESIS OF 13C LABELED PLASMALOGEN | PHENOMENOME DISCOVERIES INC. (CA) | 2013-05-23 | — | — | WO | disclosed |
| WO-2013071411-A1 | METHODS FOR THE SYNTHESIS OF 13C LABELED DHA AND USE AS A REFERENCE STANDARD | PHENOMENOME DISCOVERIES INC. (CA) | 2013-05-23 | — | — | WO | disclosed |