⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4320983 | 0.87 | — | — | |
| SCHEMBL10934722 | 0.79 | CA2 (0.35) | — | |
| SCHEMBL5496038 | 0.77 | — | — | |
| SCHEMBL2114533 | 0.75 | — | — | |
| Butadiene SCHEMBL2778686 | 0.75 | — | — | |
| Butane SCHEMBL3298430 | 0.73 | — | — | |
| SCHEMBL19974198 | 0.73 | — | — | |
| SCHEMBL11695850 | 0.73 | CYP3A4 (0.37) | — | |
| Bromide SCHEMBL2760797 | 0.71 | — | — | |
| Bromide SCHEMBL31275819 | 0.71 | — | — |
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-1791708-A | Superabsorbent cellulosic fibers and methods of making same | RAYONIER PROD & FNCL SERV CO (US) | 2006-06-21 | — | — | CN | disclosed |