⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL986680 | 0.75 | — | — | |
| SCHEMBL14175020 | 0.75 | — | — | |
| SCHEMBL5948626 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL12344858 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28131463 | 0.73 | — | — | |
| Hydrogen Sulfide SCHEMBL28133109 | 0.73 | — | — | |
| Water SCHEMBL3058939 | 0.73 | — | — | |
| SCHEMBL372509 | 0.71 | TSHR (0.38) | — | |
| SCHEMBL24224363 | 0.71 | — | — | |
| SCHEMBL5948230 | 0.71 | — | — |
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-1084116-A1 | CYCLOHEXENONDIOXOTHIO CHROMANOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999057111-A1 | CYCLOHEXENONDIOXOTHIO CHROMANOYL DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-11-11 | — | — | WO | disclosed |