⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5071400 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5073485 | 0.73 | — | — | |
| SCHEMBL6625613 | 0.61 | — | — | |
| SCHEMBL4849512 | 0.59 | — | — | |
| SCHEMBL5073558 | 0.58 | — | — | |
| SCHEMBL6568381 | 0.57 | — | — | |
| SCHEMBL4447967 | 0.56 | — | — | |
| SCHEMBL3950859 | 0.56 | — | — | |
| SCHEMBL27551594 | 0.55 | — | — | |
| SCHEMBL28842715 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1417031-B1 | AMINE ELIMINATION PROCESS FOR MAKING SINGLE-SITE CATALYSTS | EQUISTAR CHEM LP (US) | 2008-05-07 | — | — | EP | disclosed |