⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL586697 | 0.97 | — | — | |
| SCHEMBL27793140 | 0.95 | — | — | |
| SCHEMBL1572164 | 0.95 | — | — | |
| SCHEMBL28188437 | 0.95 | — | — | |
| SCHEMBL28283399 | 0.95 | — | — | |
| Ethylene Glycol SCHEMBL28279343 | 0.88 | ALDH1A1 (0.42) | — | |
| SCHEMBL7751274 | 0.78 | ALDH1A1 (0.52) | — | |
| SCHEMBL2955967 | 0.78 | ALDH1A1 (0.52) | — | |
| SCHEMBL35971 | 0.76 | — | — | |
| SCHEMBL75763 | 0.76 | — | — |
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-106205782-A | A kind of communication base station power cable | 李斌 | 2016-12-07 | — | — | CN | disclosed |