⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27278101 | 0.75 | FFAR4 (0.36) | — | |
| SCHEMBL6747695 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL6542834 | 0.73 | — | — | |
| SCHEMBL27234789 | 0.72 | — | — | |
| SCHEMBL3613683 | 0.70 | — | — | |
| SCHEMBL3905502 | 0.70 | — | — | |
| SCHEMBL1291214 | 0.69 | — | — | |
| SCHEMBL20057168 | 0.68 | TSHR (0.46) | — | |
| SCHEMBL2711998 | 0.68 | TSHR (0.41) | — | |
| SCHEMBL10297753 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2222654-A1 | 2-METHYLTHIOETHYL-SUBSTITUTED HEYRROCYCLES AS FEED ADDITIVES | Evonik Degussa GmbH (DE) | 2010-09-01 | — | — | EP | disclosed |
| WO-2009080446-A1 | 2-METHYLTHIOETHYL-SUBSTITUTED HEYRROCYCLES AS FEED ADDITIVES | EVONIK DEGUSSA GMBH (DE) | 2009-07-02 | — | — | WO | disclosed |