⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16480469 | 0.97 | — | — | |
| SCHEMBL308697 | 0.97 | — | — | |
| SCHEMBL13772305 | 0.97 | — | — | |
| SCHEMBL28958591 | 0.94 | — | — | |
| Acetaldehyde SCHEMBL27382305 | 0.84 | FDPS (0.36) | — | |
| SCHEMBL1052050 | 0.83 | ALDH1A1 (0.44) | — | |
| SCHEMBL308585 | 0.83 | — | — | |
| SCHEMBL4894853 | 0.80 | FDPS (0.32) | — | |
| SCHEMBL2820292 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL1613219 | 0.80 | ALDH1A1 (0.41) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103998488-B | Process for making hybrid polyester-polyether polyols | 陶氏环球技术有限责任公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-103403061-B | Use the epoxyalkane polyreaction of double metal cyanide catalyst complex and magnesium, the 3rd race-15 race's metal or lanthanide metal compound | DOW GLOBAL TECHNOLOGIES LLC (US) | 2016-06-01 | — | — | CN | disclosed |