⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21755882 | 0.72 | — | — | |
| SCHEMBL23654737 | 0.72 | — | — | |
| SCHEMBL21755878 | 0.61 | — | — | |
| SCHEMBL4654340 | 0.61 | — | — | |
| SCHEMBL598355 | 0.61 | TSHR (0.38) | — | |
| SCHEMBL5163746 | 0.61 | TSHR (0.38) | — | |
| SCHEMBL82776 | 0.60 | — | — | |
| SCHEMBL21755876 | 0.59 | — | — | |
| SCHEMBL17607543 | 0.59 | TSHR (0.30) | — | |
| SCHEMBL15355950 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210078918-A1 | METHOD FOR DEHYDRATING ALCOHOLS TO OBTAIN OLEFINS, INVOLVING A STEP OF CATALYST SELECTIVATION | TOTAL RESEARCH & TECHNOLOGY FELUY (BE) | 2021-03-18 | — | — | US | disclosed |