⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78483 | 0.72 | — | — | |
| SCHEMBL84210 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL10739503 | 0.67 | — | — | |
| SCHEMBL13176628 | 0.67 | — | — | |
| SCHEMBL4161646 | 0.67 | — | — | |
| SCHEMBL11129029 | 0.67 | — | — | |
| SCHEMBL6901327 | 0.67 | — | — | |
| SCHEMBL29126 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL262097 | 0.67 | — | — | |
| SCHEMBL182084 | 0.67 | SLC7A5 (0.30) | — |
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-6746562-B2 | STABLE CROSSLINKED STRUCTURE AT ROOM TEMPERATURE, THEREBY HAVING RUBBER PLASTICITY, SUFFICIENT MELT FLOWABILITY AND REPEATED CROSSLINKING FORMATION AND DISSOCIATION | THE YOKOHAMA RUBBER CO., LTD (JP) | 2004-06-08 | — | — | US | disclosed |
| US-20040059060-A1 | Thermo-reversible, crosslinkable elastomer and composition thereof | CHINO KEISUKE (JP) | 2004-03-25 | — | — | US | disclosed |