⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2410795 | 0.83 | TSHR (0.47) | — | |
| SCHEMBL5050738 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL28987871 | 0.72 | — | — | |
| SCHEMBL184295 | 0.71 | — | — | |
| SCHEMBL15674930 | 0.68 | — | — | |
| SCHEMBL27815 | 0.67 | — | — | |
| SCHEMBL29227761 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL28393074 | 0.67 | — | — | |
| SCHEMBL706742 | 0.67 | TSHR (0.43) | — | |
| SCHEMBL4266461 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4077822-A | Splice for use during the thermal stabilization of a flat multifilament band of an acrylic fibrous material comprising at least two segments | CELANESE CORPORATION (US) | 1978-03-07 | — | — | US | disclosed |
| US-3962160-A | NOVEL ORGANOFUNCTIONAL (KETOXIMINO) SILANES AND ROOM TEMPERATURE, VULCANIZABLE COMPOSITIONS CONTAINING THE SAME | GENERAL ELECTRIC COMPANY (US) | 1976-06-08 | — | — | US | disclosed |