⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9258391 | 0.77 | — | — | |
| SCHEMBL28337117 | 0.76 | — | — | |
| SCHEMBL28152601 | 0.67 | — | — | |
| Urea SCHEMBL2734318 | 0.67 | — | — | |
| SCHEMBL5662865 | 0.65 | — | — | |
| Acrylamide SCHEMBL28699720 | 0.65 | ALDH1A1 (0.61) | — | |
| Acrylamide SCHEMBL368599 | 0.64 | — | — | |
| Acrylamide SCHEMBL28235604 | 0.64 | ALDH1A1 (0.85) | — | |
| Urea SCHEMBL28731524 | 0.63 | ALDH1A1 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL28933321 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103890034-B | Aqueous dispersion of blocked polyisocyanate, fiber treatment agent composition, and fabric | ASAHI KASEI CHEMICALS CORP. (JP) | 2016-05-18 | — | — | CN | disclosed |