⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3616138 | 0.79 | — | — | |
| SCHEMBL3991919 | 0.75 | — | — | |
| SCHEMBL4727595 | 0.75 | — | — | |
| SCHEMBL1727045 | 0.68 | — | — | |
| SCHEMBL3350128 | 0.64 | — | — | |
| SCHEMBL2874977 | 0.64 | — | — | |
| SCHEMBL6986884 | 0.64 | — | — | |
| SCHEMBL6845460 | 0.63 | — | — | |
| SCHEMBL1727296 | 0.63 | — | — | |
| SCHEMBL7087282 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000069893-A1 | GLYCOPEPTIDE ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SAME AND METHODS OF USING SAME | MERCK & CO., INC. (US) | 2000-11-23 | — | — | WO | claimed |
| EP-1904477-A1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007006688-A1 | INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-01-18 | — | — | WO | disclosed |