⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12944615 | 0.79 | — | — | |
| SCHEMBL52430 | 0.79 | — | — | |
| Dioxane SCHEMBL3420191 | 0.77 | TTR (0.33) | — | |
| SCHEMBL26404 | 0.76 | — | — | |
| SCHEMBL18485749 | 0.75 | — | — | |
| SCHEMBL27852435 | 0.75 | — | — | |
| SCHEMBL4628552 | 0.74 | CHRM2 (0.38) | — | |
| Methane SCHEMBL27953071 | 0.74 | — | — | |
| SCHEMBL2178206 | 0.74 | TTR (0.35) | — | |
| SCHEMBL10429268 | 0.74 | CHRM2 (0.38) | — |
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-0498305-A1 | Process for preparing carbonyl compounds | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1992-08-12 | — | — | EP | disclosed |