⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7213252 | 0.67 | — | — | |
| SCHEMBL7570536 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL19512568 | 0.64 | — | — | |
| Methyl Alcohol SCHEMBL8161587 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL250693 | 0.63 | — | — | |
| SCHEMBL7647010 | 0.60 | — | — | |
| SCHEMBL3828865 | 0.59 | — | — | |
| SCHEMBL4604119 | 0.59 | — | — | |
| SCHEMBL8165574 | 0.59 | — | — | |
| SCHEMBL251872 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6284698-B1 | CATALYST FOR ADDITION POLYMERS | THE DOW CHEMICAL COMPANY | 2001-09-04 | — | — | US | disclosed |