⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22445636 | 0.84 | — | — | |
| SCHEMBL17748288 | 0.82 | DNM1 (0.30) | — | |
| SCHEMBL27762403 | 0.80 | — | — | |
| SCHEMBL2567997 | 0.76 | — | — | |
| SCHEMBL28055068 | 0.76 | — | — | |
| SCHEMBL28131808 | 0.76 | — | — | |
| SCHEMBL1074130 | 0.73 | — | — | |
| SCHEMBL155615 | 0.72 | DNM1 (0.48) | — | |
| SCHEMBL1805659 | 0.72 | DNM1 (0.48) | — | |
| SCHEMBL5596778 | 0.72 | DNM1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1978965-A2 | HEXAHYDRO-3H-PYRROLIZIN-3-ONES USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007087224-A2 | HEXAHYDRO-3H-PYRROLIZIN-3-ONES USEFUL AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | disclosed |