⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6663234 | 0.80 | TSHR (0.42) | — | |
| SCHEMBL1507864 | 0.80 | — | — | |
| Hydrazine SCHEMBL2999099 | 0.76 | — | — | |
| Water SCHEMBL27957852 | 0.76 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL31083666 | 0.76 | — | — | |
| SCHEMBL27596874 | 0.76 | — | — | |
| SCHEMBL48883 | 0.76 | — | — | |
| Methane SCHEMBL9178014 | 0.72 | TSHR (0.36) | — | |
| Iodide SCHEMBL28459308 | 0.72 | — | — | |
| Bromide SCHEMBL28549939 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230203217-A1 | TWO-COMPONENT COMPOSITION, AND USES THEREOF | INSTITUT POLYTECHNIQUE DE BORDEAUX (FR) | 2023-06-29 | — | — | US | disclosed |
| EP-4136172-A1 | TWO-COMPONENT COMPOSITION, AND USES THEREOF | Bostik SA (FR) | 2023-02-22 | — | — | EP | disclosed |
| WO-2021209698-A1 | TWO-COMPONENT COMPOSITION, AND USES THEREOF | BOSTIK SA (FR) | 2021-10-21 | — | — | WO | disclosed |