⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL779076 | 0.69 | — | — | |
| SCHEMBL2468217 | 0.64 | — | — | |
| SCHEMBL4827901 | 0.64 | — | — | |
| SCHEMBL8993554 | 0.64 | — | — | |
| SCHEMBL707695 | 0.62 | — | — | |
| SCHEMBL333316 | 0.62 | — | — | |
| SCHEMBL17666835 | 0.61 | — | — | |
| SCHEMBL11254984 | 0.61 | — | — | |
| SCHEMBL11254990 | 0.61 | — | — | |
| SCHEMBL10424640 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6218538-B1 | ANTAGONISTS OF N-TYPE NEURONAL CALCIUM CHANNELS USEFUL IN THE TREATMENT OF CEREBROVASCULAR ISCHAEMIA AND PAIN. | ASTRA AKTIEBOLAG (SE) | 2001-04-17 | — | — | US | disclosed |
| EP-0993450-A1 | NEW COMPOUNDS | Astra Aktiebolag (publ) (SE) | 2000-04-19 | — | — | EP | disclosed |
| WO-1999001438-A1 | NEW COMPOUNDS | ASTRA AKTIEBOLAG (PUBL) (SE) | 1999-01-14 | — | — | WO | disclosed |