⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10928456 | 0.82 | — | — | |
| SCHEMBL143442 | 0.80 | — | — | |
| SCHEMBL28335814 | 0.78 | GABRP (0.44) | — | |
| SCHEMBL4078655 | 0.78 | — | — | |
| SCHEMBL28409342 | 0.76 | — | — | |
| SCHEMBL11370272 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL8019674 | 0.74 | — | — | |
| SCHEMBL11577722 | 0.74 | ALDH1A1 (0.47) | — | |
| SCHEMBL7522785 | 0.73 | L3MBTL1 (0.49) | — | |
| SCHEMBL15536540 | 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 |
|---|---|---|---|---|---|---|---|
| US-7253164-B2 | Bicyclic compounds and compositions as PDF inhibitors | IRM LLC (BM) | 2007-08-07 | — | — | US | disclosed |
| US-20050197326-A1 | Bicyclic compounds and compostions as PDF inhibitors | IRM LLC | 2005-09-08 | — | — | US | disclosed |