⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL102934 | 0.86 | — | — | |
| SCHEMBL28334449 | 0.82 | TSHR (0.31) | — | |
| Water SCHEMBL11047375 | 0.79 | — | — | |
| SCHEMBL9066606 | 0.77 | — | — | |
| SCHEMBL28248037 | 0.73 | — | — | |
| Tetrafluoroethylene SCHEMBL27509220 | 0.73 | — | — | |
| Bicarbonate SCHEMBL6897373 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL9065532 | 0.72 | — | — | |
| SCHEMBL23209129 | 0.71 | — | — | |
| SCHEMBL2583569 | 0.69 | ALDH1A1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0712871-A1 | Process for the production of homogeneous ethylene propylene rubbers using a vanadium catalyst supported on magnesium chloride | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1996-05-22 | — | — | EP | claimed |