⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12256865 | 0.78 | — | — | |
| SCHEMBL18133270 | 0.76 | — | — | |
| SCHEMBL31039494 | 0.76 | — | — | |
| SCHEMBL18768805 | 0.76 | — | — | |
| SCHEMBL3504579 | 0.76 | — | — | |
| SCHEMBL417976 | 0.76 | — | — | |
| SCHEMBL28205980 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL1147501 | 0.74 | KDM4E (0.61) | — | |
| SCHEMBL21254106 | 0.73 | KDM4E (0.48) | — | |
| SCHEMBL4399126 | 0.73 | KDM4E (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140051711-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2014-02-20 | — | — | US | disclosed |
| US-8618307-B2 | Compounds that modulate intracellular calcium | CALCIMEDICA, INC. (US) | 2013-12-31 | — | — | US | disclosed |
| EP-2477982-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2012-07-25 | — | — | EP | disclosed |
| WO-2011034962-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2011-03-24 | — | — | WO | disclosed |
| US-20110065724-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2011-03-17 | — | — | US | disclosed |