⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18331589 | 1.00 | — | — | |
| SCHEMBL12072033 | 1.00 | — | — | |
| SCHEMBL29320555 | 0.84 | HSD17B10 (0.32) | — | |
| SCHEMBL7878259 | 0.79 | — | — | |
| SCHEMBL6980345 | 0.79 | — | — | |
| SCHEMBL13520204 | 0.79 | — | — | |
| SCHEMBL19983135 | 0.79 | SIGMAR1 (0.31) | — | |
| SCHEMBL24819144 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL18327484 | 0.76 | ALDH1A1 (0.39) | — | |
| SCHEMBL16661417 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2459543-B1 | BENZO[E][1,3]OXAZIN-4-ONE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASE INHIBITORS | KARUS THERAPEUTICS LTD (GB) | 2017-08-30 | — | — | EP | disclosed |
| US-20160368908-A1 | BENZIMIDAZOLE DERIVATIVES AS RLK AND ITK INHIBITORS | PRINCIPIA BIOPHARMA, INC. | 2016-12-22 | — | — | US | disclosed |
| US-20090163493-A9 | cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor | SERENEX, INC. | 2009-06-25 | — | — | US | disclosed |
| US-20080096887-A1 | cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor | SERENEX, INC. | 2008-04-24 | — | — | US | disclosed |