⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14435544 | 0.74 | — | — | |
| SCHEMBL13309236 | 0.74 | — | — | |
| SCHEMBL1075162 | 0.74 | — | — | |
| SCHEMBL3387123 | 0.74 | — | — | |
| SCHEMBL23409268 | 0.72 | — | — | |
| SCHEMBL3778293 | 0.72 | — | — | |
| SCHEMBL31084649 | 0.72 | — | — | |
| SCHEMBL21379778 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL22728638 | 0.71 | BRD4 (0.32) | — | |
| SCHEMBL9813669 | 0.70 | ALDH1A1 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140221468-A1 | Compounds that Modulate Store Operated Calcium Channels | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2014-08-07 | — | — | US | claimed |
| WO-2012079020-A2 | COMPOUNDS THAT MODULATE STORE OPERATED CALCIUM CHANNELS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2012-06-14 | — | — | WO | claimed |
| US-20140221468-A1 | Compounds that Modulate Store Operated Calcium Channels | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2014-08-07 | — | — | US | disclosed |
| WO-2012079020-A2 | COMPOUNDS THAT MODULATE STORE OPERATED CALCIUM CHANNELS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2012-06-14 | — | — | WO | disclosed |