⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL146164 | 0.79 | — | — | |
| Methane SCHEMBL11216534 | 0.77 | — | — | |
| SCHEMBL9793320 | 0.69 | — | — | |
| SCHEMBL4622712 | 0.67 | — | — | |
| SCHEMBL639499 | 0.65 | — | — | |
| SCHEMBL21324837 | 0.65 | — | — | |
| SCHEMBL11449217 | 0.62 | — | — | |
| SCHEMBL11150655 | 0.62 | — | — | |
| SCHEMBL161873 | 0.62 | — | — | |
| SCHEMBL1062405 | 0.62 | — | — |
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-1706147-A2 | COMBINATION THERAPY WITH 5-HT sb 1A /sb AND 5-HT sb 1B /sb RECEPTOR ANTAGONISTS | Recordati Ireland Limited (IE) | 2006-10-04 | — | — | EP | claimed |
| WO-2005070460-A2 | COMBINATION THERAPY WITH 5-HT1A AND 5-HT1B RECEPTOR ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2005-08-04 | — | — | WO | claimed |