⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12443985 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL3623995 | 0.78 | — | — | |
| SCHEMBL3995211 | 0.76 | — | — | |
| SCHEMBL21012046 | 0.76 | MCL1 (0.44) | — | |
| SCHEMBL22064537 | 0.76 | CA1 (0.38) | — | |
| SCHEMBL19928657 | 0.76 | — | — | |
| SCHEMBL12440112 | 0.76 | MEN1 (0.50) | — | |
| SCHEMBL1463416 | 0.76 | CA1 (0.38) | — | |
| SCHEMBL19136886 | 0.74 | CYP2D6 (0.37) | — | |
| SCHEMBL19607891 | 0.74 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024131265-A1 | COMPOUND FOR TREATING PI3Kγ-MEDIATED DISEASES AND USE THEREOF | 中国科学院合肥物质科学研究院 | 2024-06-27 | — | — | WO | disclosed |
| EP-2663312-A1 | IRAK INHIBITORS AND USES THEREOF | Nimbus Iris, Inc. (US) | 2013-11-20 | — | — | EP | disclosed |
| WO-2012097013-A1 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS, INC. (US) | 2012-07-19 | — | — | WO | disclosed |
| US-20080108773-A1 | Polyurethane dispersions containing POSS nanoparticles | SOUTHERN MISSISSIPPI, UNIVERSITY OF, THE | 2008-05-08 | — | — | US | disclosed |