⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1304 | 0.79 | — | — | |
| SCHEMBL231601 | 0.79 | — | — | |
| Water SCHEMBL1556360 | 0.76 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL558179 | 0.73 | — | — | |
| SCHEMBL1895743 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL30718887 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL2167649 | 0.66 | — | — | |
| SCHEMBL11761374 | 0.64 | — | — | |
| SCHEMBL8648168 | 0.63 | — | — | |
| Ether SCHEMBL8640802 | 0.63 | — | — |
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-0202594-B1 | HYDROPHILIC SILICONE RUBBER MOULDINGS AND PROCESS FOR PREPARING THESE | CIBA-GEIGY AG (CH) | 1992-08-05 | — | — | EP | disclosed |