⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL31282522 | 0.67 | — | — | |
| Methyl Alcohol SCHEMBL11343238 | 0.62 | — | — | |
| Potassium Ion SCHEMBL1284 | 0.61 | — | — | |
| SCHEMBL314258 | 0.61 | — | — | |
| SCHEMBL3799398 | 0.61 | — | — | |
| Potassium Ion SCHEMBL1331713 | 0.61 | — | — | |
| Potassium Ion SCHEMBL1332472 | 0.61 | — | — | |
| SCHEMBL147247 | 0.61 | — | — | |
| SCHEMBL4885542 | 0.61 | — | — | |
| SCHEMBL352283 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996020690-A2 | 3,3-(DISUBSTITUTED)CYCLOHEXAN-1-YLIDINE ACETATE MONOMERS AND RELATED COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1996-07-11 | — | — | WO | disclosed |