⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28428883 | 0.82 | — | — | |
| SCHEMBL27544032 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL10377290 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL528607 | 0.73 | ALDH1A1 (0.46) | — | |
| Acrylic Acid SCHEMBL28996451 | 0.70 | HPGD (0.36) | — | |
| SCHEMBL9546012 | 0.69 | — | — | |
| SCHEMBL4555566 | 0.68 | — | — | |
| SCHEMBL4762931 | 0.67 | — | — | |
| SCHEMBL28423275 | 0.67 | — | — | |
| SCHEMBL3994371 | 0.67 | — | — |
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-1993023773-A1 | PROCESS FOR PREPARATION OF OXYGEN PERMEABLE POLYMER MATERIAL | CIBA-GEIGY AG (CH) | 1993-11-25 | — | — | WO | disclosed |