⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL188011 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL52024 | 0.70 | — | — | |
| SCHEMBL3218377 | 0.70 | — | — | |
| SCHEMBL8534025 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL1712915 | 0.70 | — | — | |
| SCHEMBL1582290 | 0.70 | — | — | |
| SCHEMBL8534022 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL1332099 | 0.70 | — | — | |
| Dimethylcarbate SCHEMBL1232328 | 0.70 | — | — | |
| SCHEMBL1190178 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090306039-A1 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2009-12-10 | — | — | US | disclosed |
| EP-2057124-A2 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM, LLC (BM) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008011611-A2 | COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS | IRM LLC (BM) | 2008-01-24 | — | — | WO | disclosed |