⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2079127 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL5359833 | 0.68 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL58209 | 0.68 | — | — | |
| SCHEMBL13547707 | 0.67 | ACHE (0.47) | — | |
| SCHEMBL62327 | 0.67 | — | — | |
| SCHEMBL1419590 | 0.67 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL29140292 | 0.66 | — | — | |
| SCHEMBL6008290 | 0.65 | EP300 (0.36) | — | |
| SCHEMBL2776293 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL75115 | 0.65 | — | — |
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-20130245025-A1 | Compounds that modulate intracellular calcium | CALCIMEDICA, INC. (US) | 2013-09-19 | — | — | US | disclosed |
| US-8394848-B2 | Compounds that modulate intracellular calcium | CALCIMEDICA, INC. (US) | 2013-03-12 | — | — | US | disclosed |
| US-20110136816-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2011-06-09 | — | — | US | disclosed |