⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6028262 | 0.84 | TSHR (0.31) | — | |
| SCHEMBL6027606 | 0.79 | EPHX1 (0.31) | — | |
| SCHEMBL6027635 | 0.77 | — | — | |
| SCHEMBL11538491 | 0.74 | — | — | |
| SCHEMBL6027140 | 0.69 | — | — | |
| SCHEMBL6461850 | 0.69 | — | — | |
| SCHEMBL6908902 | 0.69 | — | — | |
| SCHEMBL232272 | 0.69 | — | — | |
| SCHEMBL2271789 | 0.67 | — | — | |
| SCHEMBL4202495 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2000067300-A1 | LIQUID PRECURSORS FOR FORMATION OF MATERIALS CONTAINING ALKALI METALS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-11-09 | — | — | WO | claimed |
| US-6994800-B1 | Liquid precursors for formation of materials containing alkali metals | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-02-07 | — | — | US | disclosed |