⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2274134 | 0.78 | HSD17B10 (0.33) | — | |
| SCHEMBL9576546 | 0.77 | — | — | |
| SCHEMBL27783152 | 0.77 | — | — | |
| SCHEMBL7054491 | 0.75 | — | — | |
| Ethylene SCHEMBL27404180 | 0.72 | — | — | |
| Methyl Alcohol SCHEMBL28202771 | 0.72 | — | — | |
| SCHEMBL35695 | 0.71 | — | — | |
| SCHEMBL9576345 | 0.70 | — | — | |
| SCHEMBL29156652 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL7052850 | 0.68 | ALDH1A1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109642054-A | Rubber composition | 株式会社可乐丽 | 2019-04-16 | — | — | CN | disclosed |
| CN-109642055-A | Rubber composition | 株式会社可乐丽 | 2019-04-16 | — | — | CN | disclosed |
| WO-2010144080-A1 | IMPROVED CATALYST FLOW | BASF CATALYSTS LLC (US) | 2010-12-16 | — | — | WO | disclosed |