⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2649526 | 0.73 | — | — | |
| SCHEMBL5286240 | 0.66 | ACHE (0.40) | — | |
| SCHEMBL9009748 | 0.65 | ESR1 (0.49) | — | |
| SCHEMBL5534404 | 0.63 | ESR1 (0.51) | — | |
| SCHEMBL5276695 | 0.63 | ALDH1A1 (0.38) | — | |
| SCHEMBL8111281 | 0.63 | UHRF1 (0.31) | — | |
| SCHEMBL3815844 | 0.63 | — | — | |
| SCHEMBL1939273 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL2973 | 0.62 | — | — | |
| SCHEMBL19711915 | 0.60 | — | — |
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-2480529-A1 | INDOLE DERIVATIVES AS CRAC MODULATORS | F. Hoffmann-La Roche AG (CH) | 2012-08-01 | — | — | EP | disclosed |
| WO-2011036130-A1 | INDOLE DERIVATIVES AS CRAC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | disclosed |