⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4088263 | 0.71 | CA1 (0.32) | — | |
| SCHEMBL4082769 | 0.69 | — | — | |
| SCHEMBL4087832 | 0.64 | — | — | |
| SCHEMBL4078738 | 0.64 | CA1 (0.34) | — | |
| SCHEMBL4088618 | 0.62 | — | — | |
| SCHEMBL4398614 | 0.60 | — | — | |
| SCHEMBL4088202 | 0.58 | — | — | |
| SCHEMBL4081453 | 0.58 | — | — | |
| SCHEMBL4093427 | 0.57 | — | — | |
| SCHEMBL4091498 | 0.57 | AHR (0.38) | — |
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-1113026-A2 | Catalyst component for addition polymerization, catalyst for addition polymerization, and process for producing addition polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2001-07-04 | — | — | EP | disclosed |