⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14009906 | 1.00 | — | — | |
| SCHEMBL17691108 | 0.76 | — | — | |
| SCHEMBL20045063 | 0.75 | — | — | |
| SCHEMBL717532 | 0.75 | — | — | |
| SCHEMBL17691115 | 0.73 | FUCA1 (0.38) | — | |
| SCHEMBL24900909 | 0.70 | NOS3 (0.30) | — | |
| SCHEMBL24900918 | 0.70 | NOS3 (0.30) | — | |
| SCHEMBL720302 | 0.69 | — | — | |
| SCHEMBL24900948 | 0.67 | — | — | |
| SCHEMBL17886967 | 0.63 | — | — |
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-2008156451-A1 | N-HETEROCYCLIC CARBENE METALLACYCLE CATALYSTS AND METHODS | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2008-12-24 | — | — | WO | disclosed |