⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3889778 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL28223362 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL8895565 | 0.63 | — | — | |
| SCHEMBL11740888 | 0.63 | — | — | |
| SCHEMBL7777784 | 0.63 | PEPD (0.36) | — | |
| SCHEMBL3638785 | 0.61 | MMP2 (0.34) | — | |
| SCHEMBL11549070 | 0.58 | — | — | |
| SCHEMBL28363495 | 0.58 | — | — | |
| SCHEMBL11763035 | 0.58 | — | — | |
| SCHEMBL2238966 | 0.58 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5538958-A | NMDA antagonists | MERRELL PHARMACEUTICALS INC. (US) | 1996-07-23 | — | — | US | disclosed |
| US-5500419-A | NMDA antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1996-03-19 | — | — | US | disclosed |
| EP-0418863-B1 | NMDA antagonists | MERRELL DOW PHARMA (US) | 1995-01-04 | — | — | EP | disclosed |
| US-5326756-A | R-4-oxo-5 phosphononorvaline used as NMDA antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-07-05 | — | — | US | disclosed |
| US-5095009-A | NMDA antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-03-10 | — | — | US | disclosed |
| EP-0418863-A2 | NMDA antagonists | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-03-27 | — | — | EP | disclosed |