⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10416753 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL3207667 | 0.86 | ALDH1A1 (0.36) | — | |
| SCHEMBL224974 | 0.83 | — | — | |
| SCHEMBL1823886 | 0.80 | — | — | |
| SCHEMBL2944079 | 0.80 | — | — | |
| SCHEMBL2941165 | 0.80 | — | — | |
| SCHEMBL4339250 | 0.80 | — | — | |
| SCHEMBL9222863 | 0.77 | — | — | |
| Isobutyraldehyde SCHEMBL9790327 | 0.77 | — | — | |
| SCHEMBL9228730 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5556976-A | FORMING WET AND DRY RESILIENT CELLULOSE FIBERS WITH HIGH ABSORBENCY, BULK AND WET AND DRY RESILIENCY FOR PAPER TOWELS, DIAPERS AND SANITARY PRODUCTS | JEWELL RICHARD A (US) | 1996-09-17 | — | — | US | disclosed |