⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27813752 | 0.78 | CLK4 (0.36) | — | |
| SCHEMBL8657943 | 0.77 | HSP90AA1 (0.34) | — | |
| SCHEMBL7762847 | 0.77 | — | — | |
| SCHEMBL1939273 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL608869 | 0.70 | HSP90AA1 (0.32) | — | |
| SCHEMBL6638047 | 0.69 | NPC1 (0.42) | — | |
| SCHEMBL17018028 | 0.68 | RAB9A (0.53) | — | |
| SCHEMBL4761792 | 0.68 | CLK4 (0.42) | — | |
| SCHEMBL2154634 | 0.67 | MCL1 (0.41) | — | |
| SCHEMBL694507 | 0.67 | ALDH1A1 (0.41) | — |
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 6 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 | claimed |
| WO-2011036130-A1 | INDOLE DERIVATIVES AS CRAC MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-31 | — | — | WO | claimed |
| US-20110071150-A1 | INDOLE DERIVATIVES AS CRAC MODULATORS | ALAM MUZAFFAR | 2011-03-24 | — | — | US | claimed |
| 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 |
| US-20110071150-A1 | INDOLE DERIVATIVES AS CRAC MODULATORS | ALAM MUZAFFAR | 2011-03-24 | — | — | US | disclosed |