⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4694207 | 0.79 | — | — | |
| SCHEMBL23682710 | 0.67 | TTR (0.42) | — | |
| SCHEMBL10282070 | 0.64 | — | — | |
| SCHEMBL16878481 | 0.64 | — | — | |
| SCHEMBL1564219 | 0.64 | — | — | |
| SCHEMBL3363170 | 0.62 | — | — | |
| SCHEMBL27785 | 0.61 | — | — | |
| SCHEMBL16877678 | 0.61 | — | — | |
| SCHEMBL18165 | 0.61 | — | — | |
| SCHEMBL21175389 | 0.61 | — | — |
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-0284969-A2 | Process for the preparation of tetrahydropyran-4-carboxylic acid esters | BASF Aktiengesellschaft (DE) | 1988-10-05 | — | — | EP | disclosed |