⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20337957 | 0.80 | — | — | |
| SCHEMBL20337845 | 0.77 | TSHR (0.37) | — | |
| SCHEMBL16654757 | 0.74 | — | — | |
| SCHEMBL13997221 | 0.74 | — | — | |
| SCHEMBL26195 | 0.72 | — | — | |
| SCHEMBL17004015 | 0.70 | — | — | |
| SCHEMBL6871308 | 0.70 | — | — | |
| SCHEMBL918503 | 0.70 | — | — | |
| SCHEMBL13947483 | 0.69 | — | — | |
| SCHEMBL3533681 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10941092-B2 | Hydroformylation process for producing 1,6-hexanediol derivatives | BASF SE | 2021-03-09 | — | — | US | disclosed |
| US-20200172458-A1 | HYDROFORMYLATION PROCESS FOR PRODUCING 1,6-HEXANEDIOL DERIVATIVES | BASF SE (DE) | 2020-06-04 | — | — | US | disclosed |