⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15871027 | 0.87 | RAB9A (0.63) | — | |
| SCHEMBL16597642 | 0.87 | RAB9A (0.63) | — | |
| SCHEMBL29274088 | 0.79 | RAB9A (0.47) | — | |
| SCHEMBL17185663 | 0.79 | — | — | |
| SCHEMBL7878153 | 0.78 | — | — | |
| SCHEMBL3659441 | 0.78 | — | — | |
| SCHEMBL31205761 | 0.78 | — | — | |
| SCHEMBL7887292 | 0.78 | — | — | |
| SCHEMBL31212984 | 0.78 | — | — | |
| SCHEMBL30990554 | 0.76 | RAB9A (0.81) | — |
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-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 |