⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3862479 | 0.75 | — | — | |
| SCHEMBL4003953 | 0.63 | GRIN2D (0.36) | — | |
| SCHEMBL9126926 | 0.59 | GRIN2D (0.32) | — | |
| SCHEMBL4621624 | 0.56 | — | — | |
| SCHEMBL8941059 | 0.56 | GRIN2D (0.33) | — | |
| SCHEMBL14645140 | 0.55 | GRIN2D (0.39) | — | |
| SCHEMBL18695801 | 0.55 | — | — | |
| SCHEMBL9960249 | 0.54 | CRBN (0.32) | — | |
| SCHEMBL910100 | 0.54 | — | — | |
| SCHEMBL23234507 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012055995-A1 | TRICYCLIC COMPOUNDS AS MPGES-1 INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2012-05-03 | — | — | WO | disclosed |