⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10368806 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL9604430 | 0.76 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL11444043 | 0.74 | OPRM1 (0.32) | — | |
| SCHEMBL165875 | 0.73 | — | — | |
| SCHEMBL15955451 | 0.67 | KDM4E (0.31) | — | |
| Bicarbonate SCHEMBL4894103 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL7171007 | 0.66 | ALDH1A1 (0.42) | — | |
| SCHEMBL20440769 | 0.66 | CYP1A2 (0.30) | — | |
| SCHEMBL9034588 | 0.63 | — | — | |
| SCHEMBL611476 | 0.61 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4256764-A | LIVER DISORDERS; WATER SOLUBILITY; REACTION WITH AN OXAZOLIDINE | PLC PHARMACEUTICAL LICENSES CO. LTD. (CH) | 1981-03-17 | — | — | US | disclosed |
| EP-0011598-A1 | Process for the preparation of derivatives of isoeugenol dimers | PLC PHARMACEUTICAL LICENCES COMPANY LTD. (CH) | 1980-05-28 | — | — | EP | disclosed |