⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28455847 | 0.77 | — | — | |
| SCHEMBL17642438 | 0.74 | NOS2 (0.31) | — | |
| SCHEMBL1104699 | 0.74 | — | — | |
| SCHEMBL18419229 | 0.74 | NOS2 (0.31) | — | |
| SCHEMBL15809089 | 0.74 | NOS2 (0.31) | — | |
| SCHEMBL798034 | 0.74 | — | — | |
| SCHEMBL1104694 | 0.74 | — | — | |
| SCHEMBL2230595 | 0.74 | NOS2 (0.31) | — | |
| SCHEMBL18419228 | 0.74 | NOS2 (0.31) | — | |
| SCHEMBL36547 | 0.74 | NOS2 (0.31) | — |
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-1996588-A1 | NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS | Torrent Pharmaceuticals Ltd (IN) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007100295-A1 | NOVEL DUAL ACTION RECEPTORS ANTAGONISTS (DARA) AT THE ATI AND ETA RECEPTORS | TORRENT PHARMACEUTICALS LTD (IN) | 2007-09-07 | — | — | WO | disclosed |