⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2338969 | 0.74 | — | — | |
| SCHEMBL120221 | 0.74 | — | — | |
| SCHEMBL20423496 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL5704454 | 0.72 | — | — | |
| SCHEMBL8017325 | 0.72 | — | — | |
| SCHEMBL49357 | 0.72 | — | — | |
| SCHEMBL5525768 | 0.72 | — | — | |
| SCHEMBL3269571 | 0.72 | FAAH (0.32) | — | |
| SCHEMBL2774703 | 0.70 | — | — | |
| Acetic Acid SCHEMBL28769440 | 0.70 | ALDH1A1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1448508-B1 | DOUBLE ESTERS | DRUG DISCOVERY LAB AS (NO) | 2009-09-23 | — | — | EP | disclosed |
| EP-1448508-A1 | DOUBLE ESTERS | Photocure ASA (NO) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003045893-A1 | DOUBLE ESTERS | PHOTOCURE ASA (NO) | 2003-06-05 | — | — | WO | disclosed |
| EP-0128701-B1 | ACRYLATE AND METHACRYLATE MONOMERS AND POLYMERS AND PROCESS FOR THERMOFORMED ARTICLES | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1989-08-02 | — | — | EP | disclosed |