⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL431745 | 1.00 | — | — | |
| SCHEMBL49677 | 0.79 | — | — | |
| SCHEMBL26347192 | 0.77 | ALOX15 (0.48) | — | |
| SCHEMBL8141558 | 0.75 | CYP2A6 (0.46) | — | |
| SCHEMBL8150196 | 0.75 | CYP2A6 (0.46) | — | |
| SCHEMBL29502821 | 0.75 | ALOX15 (0.57) | — | |
| SCHEMBL40336 | 0.75 | — | — | |
| SCHEMBL69661 | 0.75 | — | — | |
| SCHEMBL30007821 | 0.75 | — | — | |
| SCHEMBL29419590 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4126840-A1 | ARYL PIPERIDINES AS MONOACYLGLYCEROL LIPASE MODULATORS | Janssen Pharmaceutica NV (BE) | 2023-02-08 | — | — | EP | disclosed |