⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3258793 | 0.67 | — | — | |
| SCHEMBL1680402 | 0.65 | — | — | |
| SCHEMBL4144209 | 0.65 | — | — | |
| SCHEMBL1680251 | 0.62 | — | — | |
| SCHEMBL1680238 | 0.62 | — | — | |
| SCHEMBL19887776 | 0.60 | TDP1 (0.32) | — | |
| SCHEMBL1680461 | 0.60 | EPHX1 (0.35) | — | |
| SCHEMBL19523376 | 0.60 | TDP1 (0.42) | — | |
| SCHEMBL305072 | 0.60 | — | — | |
| SCHEMBL504033 | 0.60 | — | — |
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-2157081-A1 | Indolinones substituted in six locations, their manufacture and their application as medicine | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2010-02-24 | — | — | EP | disclosed |