⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31437614 | 0.73 | — | — | |
| SCHEMBL14887095 | 0.72 | AKR1B1 (0.58) | — | |
| SCHEMBL8614826 | 0.68 | — | — | |
| SCHEMBL11478203 | 0.67 | — | — | |
| SCHEMBL11750156 | 0.66 | KDM4E (0.33) | — | |
| SCHEMBL7106608 | 0.65 | — | — | |
| SCHEMBL30165657 | 0.62 | TSHR (0.33) | — | |
| SCHEMBL22753318 | 0.62 | POLB (0.31) | — | |
| Bicarbonate SCHEMBL5672748 | 0.60 | CA1 (0.33) | — | |
| SCHEMBL14530396 | 0.59 | — | — |
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-0290442-A4 | PHARMACOLOGICALLY ACTIVE COMPOUNDS AND MIXTURES THEREOF, ORGANIC COMPOSITIONS AND METAL SALTS. | CHEMEX PHARMACEUTICALS INC (US) | 1990-07-03 | — | — | EP | claimed |
| EP-0290442-A1 | PHARMACOLOGICALLY ACTIVE COMPOUNDS AND MIXTURES THEREOF, ORGANIC COMPOSITIONS AND METAL SALTS | CHEMEX PHARMACEUTICALS, INC. (US) | 1988-11-17 | — | — | EP | claimed |
| WO-1988003805-A1 | PHARMACOLOGICALLY ACTIVE COMPOUNDS AND MIXTURES THEREOF, ORGANIC COMPOSITIONS AND METAL SALTS | CHEMEX PHARMACEUTICALS, INC. (US) | 1988-06-02 | — | — | WO | claimed |
| WO-2019197777-A1 | NOVEL COMPOSITION BASED ON POLYCAFFEOYLQUINIC ACIDS, THE USE THEREOF IN COSMETICS AND COSMETIC COMPOSITIONS COMPRISING SAME | SOCIETE D'EXPLOITATION DE PRODUITS POUR LES INDUSTRIES CHIMIQUES SEPPIC (FR) | 2019-10-17 | — | — | WO | disclosed |