⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29770643 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL28430002 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL20338348 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL29131780 | 0.80 | NOS3 (0.32) | — | |
| SCHEMBL28534432 | 0.79 | — | — | |
| Formamide SCHEMBL25308554 | 0.73 | NOS3 (0.32) | — | |
| SCHEMBL28909733 | 0.73 | — | — | |
| SCHEMBL8338293 | 0.70 | — | — | |
| SCHEMBL29614351 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL30852195 | 0.68 | — | — |
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-112409340-B | Halogen substituted phenyl ether compound and application thereof | 海创药业股份有限公司 | 2022-03-18 | — | — | CN | disclosed |
| CN-112409340-A | Halogen substituted phenyl ether compound and application thereof | 海创药业股份有限公司 | 2021-02-26 | — | — | CN | disclosed |