⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6063631 | 0.97 | — | — | |
| Alcohol SCHEMBL14842180 | 0.88 | TP53 (0.32) | — | |
| SCHEMBL11423206 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL27527277 | 0.78 | HTT (0.33) | — | |
| SCHEMBL3255288 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL28371829 | 0.78 | HTT (0.33) | — | |
| SCHEMBL524350 | 0.78 | — | — | |
| SCHEMBL22556015 | 0.76 | — | — | |
| SCHEMBL163468 | 0.75 | HTT (0.35) | — | |
| SCHEMBL27511400 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106061930-A | Continuous process for producing an ethylene glycol stream | 拜奥开姆泰克股份公司 | 2016-10-26 | — | — | CN | disclosed |