⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14127152 | 0.93 | — | — | |
| SCHEMBL5316 | 0.93 | — | — | |
| Bromide SCHEMBL25315220 | 0.89 | — | — | |
| SCHEMBL20668551 | 0.89 | — | — | |
| SCHEMBL15741725 | 0.89 | — | — | |
| Phosphine SCHEMBL4322491 | 0.89 | — | — | |
| Butane SCHEMBL2121237 | 0.83 | — | — | |
| Ethylene Glycol SCHEMBL22494134 | 0.80 | — | — | |
| Ether SCHEMBL2991328 | 0.78 | ALDH1A1 (0.35) | — | |
| Phosphonic Acid SCHEMBL10687386 | 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-108175749-A | The solid dispersions of melt extrusion containing cell death inducer | 艾伯维爱尔兰无限公司 | 2018-06-19 | — | — | CN | disclosed |