⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5511531 | 0.74 | XDH (0.34) | — | |
| SCHEMBL5510318 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL2091126 | 0.66 | GPR84 (0.38) | — | |
| SCHEMBL5510296 | 0.62 | CA12 (0.50) | — | |
| SCHEMBL5522542 | 0.62 | TAAR1 (0.37) | — | |
| SCHEMBL23939266 | 0.61 | — | — | |
| SCHEMBL21736799 | 0.60 | — | — | |
| SCHEMBL3786178 | 0.60 | MAPT (0.44) | — | |
| SCHEMBL31481004 | 0.59 | POLB (0.49) | — | |
| SCHEMBL22252992 | 0.59 | DAO (0.31) | — |
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 |