⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL72944 | 0.77 | — | — | |
| Cyclopropane SCHEMBL28598829 | 0.71 | — | — | |
| SCHEMBL556909 | 0.71 | — | — | |
| SCHEMBL28724480 | 0.69 | — | — | |
| SCHEMBL28259887 | 0.69 | — | — | |
| SCHEMBL557569 | 0.68 | — | — | |
| SCHEMBL1493029 | 0.68 | — | — | |
| SCHEMBL29286728 | 0.67 | — | — | |
| SCHEMBL556672 | 0.64 | CA1 (0.31) | — | |
| SCHEMBL1046163 | 0.64 | — | — |
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-2000039179-A1 | SUPERABSORBENT AND ELASTIC POLYMERIC MATERIAL INCLUDING POLYETHYLENE GLYCOL AND POLYTETRAMETHYLENE ETHER GLYCOL SOFT SEGMENTS AND METHODS OF MAKING SAME | KIMBERLY-CLARK WORLDWIDE, INC. (US) | 2000-07-06 | — | — | WO | disclosed |