⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6248562 | 0.74 | — | — | |
| SCHEMBL9263129 | 0.72 | — | — | |
| SCHEMBL4251861 | 0.72 | — | — | |
| SCHEMBL838944 | 0.72 | — | — | |
| SCHEMBL7692712 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL1160500 | 0.71 | — | — | |
| SCHEMBL714504 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL1698329 | 0.71 | — | — | |
| SCHEMBL4355986 | 0.69 | — | — | |
| SCHEMBL11458322 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311792-A | Phenylether derivative, preparation method thereof, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2019-02-05 | — | — | CN | disclosed |
| CN-107417564-A | Phenylate analog derivative and its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2017-12-01 | — | — | CN | disclosed |