⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6276973 | 0.88 | — | — | |
| SCHEMBL2410182 | 0.88 | — | — | |
| SCHEMBL3713171 | 0.82 | — | — | |
| SCHEMBL5232123 | 0.82 | — | — | |
| SCHEMBL19900855 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL16213498 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7962851 | 0.78 | — | — | |
| SCHEMBL24473651 | 0.78 | — | — | |
| SCHEMBL22624168 | 0.78 | — | — | |
| SCHEMBL4172762 | 0.78 | — | — |
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-1142513-A | Process for preparing open-cellular rigid polyurethane foam | DOW MITSUBISHI CHEMICAL LTD (JP) | 1997-02-12 | — | — | CN | disclosed |