⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5916047 | 0.90 | — | — | |
| SCHEMBL2502417 | 0.81 | ACHE (0.30) | — | |
| SCHEMBL2495571 | 0.79 | — | — | |
| SCHEMBL5916061 | 0.79 | — | — | |
| SCHEMBL7895912 | 0.79 | — | — | |
| SCHEMBL2501512 | 0.78 | — | — | |
| SCHEMBL9315337 | 0.78 | CYP4F2 (0.36) | — | |
| SCHEMBL20137916 | 0.77 | — | — | |
| SCHEMBL5915948 | 0.75 | — | — | |
| SCHEMBL483303 | 0.73 | ADORA2A (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5510539-A | LIQUID KETALS; LONG DARK STORAGE STABILITY | CIBA-GEIGY CORPORATION (US) | 1996-04-23 | — | — | US | disclosed |
| US-5288917-A | Benzil ketals; end-capped polyoxyyethylene glycol; mixed with titanocene-type initiators | CIBA-GEIGY CORPORATION (US) | 1994-02-22 | — | — | US | disclosed |
| US-4960746-A | A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE | CIBA-GEIGY CORPORATION (US) | 1990-10-02 | — | — | US | disclosed |