⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3597830 | 0.69 | — | — | |
| SCHEMBL245207 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL1603671 | 0.68 | TSHR (0.37) | — | |
| SCHEMBL5838258 | 0.67 | TSHR (0.39) | — | |
| SCHEMBL1717354 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL5839195 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL374775 | 0.65 | TSHR (0.38) | — | |
| SCHEMBL3738205 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL18918481 | 0.65 | TSHR (0.37) | — | |
| SCHEMBL10430815 | 0.65 | TSHR (0.37) | — |
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-5032658-A | Hardness, unsaturated ester | POLYMER TECHNOLOGY CORPORATION (US) | 1991-07-16 | — | — | US | disclosed |