⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7935893 | 1.00 | — | — | |
| SCHEMBL7943551 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL7942398 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL7942400 | 0.96 | — | — | |
| SCHEMBL8218234 | 0.91 | HPGD (0.30) | — | |
| SCHEMBL7673679 | 0.90 | — | — | |
| SCHEMBL6529917 | 0.83 | — | — | |
| SCHEMBL6438616 | 0.75 | — | — | |
| SCHEMBL8220098 | 0.74 | — | — | |
| SCHEMBL3842347 | 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 |
|---|---|---|---|---|---|---|---|
| US-6284698-B1 | CATALYST FOR ADDITION POLYMERS | THE DOW CHEMICAL COMPANY | 2001-09-04 | — | — | US | disclosed |