⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL720023 | 0.73 | — | — | |
| SCHEMBL8046896 | 0.69 | TDP1 (0.32) | — | |
| SCHEMBL27612654 | 0.68 | CA1 (0.30) | — | |
| SCHEMBL9651406 | 0.68 | TSHR (0.36) | — | |
| Propylene Glycol SCHEMBL28667172 | 0.68 | TDP1 (0.53) | — | |
| SCHEMBL8506222 | 0.68 | TP53 (0.32) | — | |
| SCHEMBL17115793 | 0.67 | TDP1 (0.33) | — | |
| Glycerin SCHEMBL8504732 | 0.66 | LMNA (0.45) | — | |
| SCHEMBL15847885 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL10729251 | 0.63 | CA2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999045947-A9 | IN VITRO FORMATION OF CONGOPHILIC MALTESE-CROSS AMYLOID PLAQUES TO IDENTIFY ANTI-PLAQUE THERAPEUTICS FOR THE TREATMENT OF ALZHEIMER'S AND PRION DISEASES | UNIV WASHINGTON (US) | 2000-03-02 | — | — | WO | claimed |