⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14879547 | 0.76 | — | — | |
| SCHEMBL722990 | 0.74 | RAB9A (0.40) | — | |
| SCHEMBL14879519 | 0.65 | IKBKB (0.42) | — | |
| SCHEMBL14879652 | 0.64 | — | — | |
| SCHEMBL14157134 | 0.64 | — | — | |
| SCHEMBL14150154 | 0.63 | IKBKB (0.32) | — | |
| SCHEMBL14879517 | 0.62 | — | — | |
| SCHEMBL14879599 | 0.62 | ABCC8 (0.34) | — | |
| SCHEMBL14882175 | 0.62 | L3MBTL1 (0.36) | — | |
| SCHEMBL14879423 | 0.62 | IKBKB (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2609095-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | Calcimedica, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012027710-A2 | COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM | CALCIMEDICA INC. (US) | 2012-03-01 | — | — | WO | disclosed |