⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28089409 | 0.87 | — | — | |
| SCHEMBL21592067 | 0.79 | LPAR3 (0.40) | — | |
| SCHEMBL15341357 | 0.76 | PLA2G2A (0.37) | — | |
| SCHEMBL26176571 | 0.76 | PLA2G2A (0.37) | — | |
| SCHEMBL18751369 | 0.76 | PLA2G2A (0.37) | — | |
| SCHEMBL12819009 | 0.76 | LPAR3 (0.44) | — | |
| SCHEMBL11590408 | 0.72 | — | — | |
| SCHEMBL24264552 | 0.71 | CYP3A4 (0.47) | — | |
| SCHEMBL13660494 | 0.71 | SAT1 (0.39) | — | |
| SCHEMBL13000049 | 0.71 | SAT1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190055550-A1 | LNA-G Process | ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) | 2019-02-21 | — | — | US | disclosed |
| WO-2017032726-A1 | LNA-G PROCESS | ROCHE INNOVATION CENTER COPENHAGEN A/S (DK) | 2017-03-02 | — | — | WO | disclosed |