⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL219158 | 0.94 | — | — | |
| Bromide SCHEMBL808650 | 0.89 | — | — | |
| Bromide SCHEMBL29136399 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL27384509 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL9619393 | 0.89 | — | — | |
| Fluoride SCHEMBL31683109 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL9619389 | 0.89 | TSHR (0.33) | — | |
| Iodide SCHEMBL3705299 | 0.89 | — | — | |
| Water SCHEMBL2332999 | 0.89 | — | — | |
| Bromide SCHEMBL29136400 | 0.89 | TSHR (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108884040-A | Novel dihydroxy compounds | 本州化学工业株式会社 | 2018-11-23 | — | — | CN | disclosed |
| CN-108884038-A | Novel dihydroxy compounds | 本州化学工业株式会社 | 2018-11-23 | — | — | CN | disclosed |
| CN-1072410-A | Arthropodicidal and nematicide sulphonate | DU PONT (US) | 1993-05-26 | — | — | CN | disclosed |