⚠ 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 | |
|---|---|---|---|---|
| Potassium Ion SCHEMBL553768 | 0.94 | SLC34A1 (0.32) | — | |
| SCHEMBL7860312 | 0.94 | — | — | |
| Silver SCHEMBL555009 | 0.94 | — | — | |
| SCHEMBL920065 | 0.94 | — | — | |
| Lithium Ion SCHEMBL21749348 | 0.94 | — | — | |
| SCHEMBL553542 | 0.94 | — | — | |
| Water SCHEMBL28672424 | 0.91 | SLC34A1 (0.30) | — | |
| Tetramethylammonium Ion SCHEMBL1758243 | 0.88 | — | — | |
| Potassium Ion SCHEMBL29609917 | 0.77 | — | — | |
| SCHEMBL486485 | 0.76 | TSHR (0.31) | — |
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-7396889-B2 | Method for preparing a diene elastomer | MICHELIN RECHERCHE ET TECHNIQUE S.A. (CH) | 2008-07-08 | — | — | US | disclosed |
| US-20070255029-A1 | Method for preparing a diene elastomer | MICHELIN RECHERCHE ET TECHNIQUE S.A. | 2007-11-01 | — | — | US | disclosed |