⚠ 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 | |
|---|---|---|---|---|
| 3-Methyladenine SCHEMBL48369 | 0.75 | ADORA2A (0.46) | — | |
| SCHEMBL17371772 | 0.75 | — | — | |
| SCHEMBL1882911 | 0.75 | — | — | |
| SCHEMBL31090042 | 0.75 | — | — | |
| SCHEMBL5513295 | 0.75 | ADORA2A (0.35) | — | |
| SCHEMBL9108201 | 0.72 | ADORA2A (0.36) | — | |
| SCHEMBL15974909 | 0.71 | ADORA2A (0.31) | — | |
| 3-Ethyladenine SCHEMBL48200 | 0.71 | ADORA2A (0.50) | — | |
| SCHEMBL19522164 | 0.71 | ADORA2A (0.50) | — | |
| 3-Propyladenine SCHEMBL15756434 | 0.68 | ADORA2A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7208559-B2 | Ethylened polymer and molded object obtained therefrom | MITSUI CHEMICALS, INC. (JP) | 2007-04-24 | — | — | US | disclosed |
| US-20060135712-A1 | Ethylened polymer and molded object obtained therefrom | MITSUI CHEMICALS, INC. (JP) | 2006-06-22 | — | — | US | disclosed |