⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL252925 | 0.79 | HTT (0.35) | — | |
| SCHEMBL7559774 | 0.79 | HTT (0.35) | — | |
| SCHEMBL3661363 | 0.77 | — | — | |
| SCHEMBL11970000 | 0.77 | HTT (0.42) | — | |
| SCHEMBL905487 | 0.77 | — | — | |
| Ethylene SCHEMBL9240042 | 0.77 | HTT (0.34) | — | |
| SCHEMBL6027840 | 0.74 | HTT (0.37) | — | |
| SCHEMBL10531175 | 0.74 | HTT (0.33) | — | |
| SCHEMBL420683 | 0.74 | — | — | |
| SCHEMBL10531177 | 0.74 | HTT (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020002090-A1 | SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-01-02 | — | — | WO | claimed |
| CN-107427500-A | Treat COPD and the composition and method of other inflammatory patient's condition | 佐治亚州立大学研究基金会公司 | 2017-12-01 | — | — | CN | disclosed |