⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21722758 | 0.90 | — | — | |
| SCHEMBL16878651 | 0.87 | — | — | |
| SCHEMBL4656667 | 0.84 | TTR (0.33) | — | |
| SCHEMBL16877747 | 0.82 | — | — | |
| SCHEMBL4223261 | 0.81 | — | — | |
| SCHEMBL16878438 | 0.78 | — | — | |
| SCHEMBL623971 | 0.74 | — | — | |
| SCHEMBL16877573 | 0.74 | — | — | |
| Tetrahydrofuran SCHEMBL5632914 | 0.73 | ALDH1A1 (0.50) | — | |
| SCHEMBL16878323 | 0.72 | CYP2A13 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2002284785-A | METHOD OF PRODUCTION FOR HYDROXY-4- OXATRICYCLO[4.3.1.13,8]UNDECAN-5-ONE AND ITS METHACRYLATE | DAICEL CHEM IND LTD | 2002-10-03 | — | — | JP | disclosed |