⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11781576 | 0.71 | HDAC3 (0.31) | — | |
| SCHEMBL3805416 | 0.71 | — | — | |
| SCHEMBL11221312 | 0.70 | — | — | |
| SCHEMBL4667900 | 0.68 | — | — | |
| SCHEMBL10408594 | 0.67 | — | — | |
| SCHEMBL1545883 | 0.67 | — | — | |
| SCHEMBL11668067 | 0.67 | HDAC3 (0.31) | — | |
| SCHEMBL3388188 | 0.65 | — | — | |
| SCHEMBL4393797 | 0.62 | — | — | |
| SCHEMBL9614877 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2200989-A1 | ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS | Wyeth a Corporation of the State of Delaware (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009036144-A1 | ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS | WYETH (US) | 2009-03-19 | — | — | WO | disclosed |
| US-20090069300-A1 | ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS | WYETH (US) | 2009-03-12 | — | — | US | disclosed |