⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15367913 | 0.77 | — | — | |
| SCHEMBL7561600 | 0.69 | — | — | |
| SCHEMBL23451884 | 0.69 | — | — | |
| SCHEMBL21052620 | 0.65 | — | — | |
| SCHEMBL11393403 | 0.65 | — | — | |
| SCHEMBL7793675 | 0.62 | CYP3A4 (0.31) | — | |
| SCHEMBL23802113 | 0.61 | — | — | |
| SCHEMBL23451880 | 0.61 | ALOX15 (0.31) | — | |
| SCHEMBL27639243 | 0.61 | — | — | |
| SCHEMBL45446 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3720835-B1 | METHOD FOR PREPARING ETHERS OF CYCLOALIPHATIC OR ARALIPHATIC DIOLS | BASF SE (DE) | 2022-07-13 | — | — | EP | disclosed |
| US-11078146-B2 | Method for preparing ethers of cycloaliphatic or araliphatic diols | BASF SE (DE) | 2021-08-03 | — | — | US | disclosed |
| US-20210171427-A1 | METHOD FOR PREPARING ETHERS OF CYCLOALIPHATIC OR ARALIPHATIC DIOLS | BASF SE (DE) | 2021-06-10 | — | — | US | disclosed |
| CN-111479795-A | Process for preparing ethers of cycloaliphatic or araliphatic diols | 巴斯夫欧洲公司 | 2020-07-31 | — | — | CN | disclosed |