⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL724067 | 0.69 | L3MBTL1 (0.30) | — | |
| SCHEMBL2092841 | 0.63 | ACHE (0.36) | — | |
| SCHEMBL27319855 | 0.63 | NFE2L2 (0.34) | — | |
| SCHEMBL6339633 | 0.61 | L3MBTL1 (0.49) | — | |
| SCHEMBL7836478 | 0.58 | ACHE (0.38) | — | |
| SCHEMBL27894571 | 0.57 | NFE2L2 (0.46) | — | |
| SCHEMBL2093790 | 0.57 | TDP1 (0.47) | — | |
| SCHEMBL5730844 | 0.57 | ACHE (0.36) | — | |
| SCHEMBL11339862 | 0.56 | — | — | |
| SCHEMBL29523028 | 0.56 | ACHE (0.39) | — |
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-2619200-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012040511-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2012-03-29 | — | — | WO | disclosed |
| US-20120071516-A1 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA, INC. (US) | 2012-03-22 | — | — | US | disclosed |