⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21799359 | 0.81 | — | — | |
| SCHEMBL17021536 | 0.80 | — | — | |
| SCHEMBL13840636 | 0.80 | — | — | |
| SCHEMBL13984881 | 0.78 | MEN1 (0.51) | — | |
| SCHEMBL13984833 | 0.78 | MEN1 (0.51) | — | |
| SCHEMBL13448860 | 0.78 | MEN1 (0.51) | — | |
| SCHEMBL13448852 | 0.77 | NEU1 (0.36) | — | |
| SCHEMBL20405069 | 0.76 | — | — | |
| SCHEMBL17021517 | 0.73 | — | — | |
| SCHEMBL18538010 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170050919-A1 | CYCLIC HYDROCARBON COMPOUND | TOA EIYO LTD. (JP) | 2017-02-23 | — | — | US | disclosed |