⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL906647 | 0.85 | — | — | |
| SCHEMBL290834 | 0.84 | — | — | |
| SCHEMBL6353996 | 0.84 | — | — | |
| SCHEMBL375499 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL119343 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL2363464 | 0.82 | MEN1 (0.33) | — | |
| SCHEMBL15416507 | 0.81 | — | — | |
| SCHEMBL4065413 | 0.81 | — | — | |
| SCHEMBL248360 | 0.81 | — | — | |
| SCHEMBL2350231 | 0.79 | EPHX2 (0.30) | — |
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-1496095-B1 | REFRIGERANT COMPOSITIONS AND USES THEREOF | TAKASAGO PERFUMERY CO LTD (JP) | 2006-12-20 | — | — | EP | disclosed |