⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4462355 | 1.00 | — | — | |
| SCHEMBL4458168 | 0.94 | — | — | |
| SCHEMBL4458167 | 0.94 | — | — | |
| SCHEMBL4460405 | 0.81 | — | — | |
| SCHEMBL4460401 | 0.81 | — | — | |
| SCHEMBL19912780 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL21847063 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL8850465 | 0.75 | TDP1 (0.35) | — | |
| SCHEMBL8850461 | 0.75 | TDP1 (0.35) | — | |
| SCHEMBL4458194 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009027181-A1 | METHOD FOR PRODUCING COMPOUNDS CONTAINING HYDROCARBON CHAINS | BASF SE (DE) | 2009-03-05 | — | — | WO | disclosed |