⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4280209 | 0.62 | — | — | |
| SCHEMBL574735 | 0.62 | — | — | |
| SCHEMBL4199833 | 0.62 | — | — | |
| SCHEMBL6761700 | 0.62 | — | — | |
| SCHEMBL1898175 | 0.62 | — | — | |
| SCHEMBL7459968 | 0.62 | — | — | |
| SCHEMBL14252552 | 0.62 | — | — | |
| SCHEMBL12786313 | 0.62 | — | — | |
| SCHEMBL10987124 | 0.62 | — | — | |
| SCHEMBL24971583 | 0.61 | NOS3 (0.48) | — |
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-2005090329-A9 | NEW COMPOUNDS FOR THE INHIBITION OF ANGIOGENESIS AND USE OF THEREOF | JERINI AG (DE) | 2007-02-01 | — | — | WO | disclosed |