⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL993287 | 0.81 | — | — | |
| SCHEMBL1350113 | 0.78 | TSHR (0.53) | — | |
| SCHEMBL159038 | 0.78 | TSHR (0.53) | — | |
| SCHEMBL6353605 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL28140890 | 0.77 | — | — | |
| SCHEMBL17123002 | 0.75 | — | — | |
| SCHEMBL4271862 | 0.75 | TSHR (0.58) | — | |
| SCHEMBL7593127 | 0.75 | — | — | |
| SCHEMBL1609485 | 0.75 | — | — | |
| SCHEMBL17224015 | 0.75 | — | — |
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-5399663-A | From ethylene oxide-propylene oxide diamine, reduced modulus and glass transition temperature, impact strength | HUNTSMAN CORPORATION (US) | 1995-03-21 | — | — | US | disclosed |