⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL187964 | 0.78 | — | — | |
| SCHEMBL12816393 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL75809 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5886519 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL3533771 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL744197 | 0.73 | — | — | |
| SCHEMBL5013324 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL4269485 | 0.73 | — | — | |
| SCHEMBL5706631 | 0.73 | — | — | |
| SCHEMBL464798 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0496163-A1 | Stable amine advanced epoxy resin compositions | THE DOW CHEMICAL COMPANY (US) | 1992-07-29 | — | — | EP | disclosed |