⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21582581 | 0.75 | — | — | |
| SCHEMBL14635876 | 0.72 | — | — | |
| SCHEMBL24230502 | 0.72 | OTUD7B (0.41) | — | |
| SCHEMBL32690053 | 0.72 | — | — | |
| SCHEMBL25394393 | 0.70 | — | — | |
| SCHEMBL18367228 | 0.68 | HRH3 (0.30) | — | |
| SCHEMBL22803207 | 0.67 | — | — | |
| SCHEMBL2407499 | 0.67 | KDM4E (0.32) | — | |
| SCHEMBL25346855 | 0.67 | — | — | |
| SCHEMBL9278149 | 0.65 | KDM4E (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0584663-B1 | Process for the preparation of tetrahydropyran-4-carboxylic acid and his esters | BASF AG (DE) | 1998-02-25 | — | — | EP | disclosed |
| US-5371246-A | Preparation of tetrahydropyran-4-carboxylic acid and esters thereof | BASF AKTIENGESELLSCHAFT (DE) | 1994-12-06 | — | — | US | disclosed |
| EP-0584663-A2 | Process for the preparation of tetrahydropyran-4-carboxylic acid and his esters | BASF Aktiengesellschaft (DE) | 1994-03-02 | — | — | EP | disclosed |