⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13186079 | 0.85 | — | — | |
| SCHEMBL8725076 | 0.77 | CA12 (0.52) | — | |
| SCHEMBL27901020 | 0.77 | CYP1A2 (0.35) | — | |
| SCHEMBL10709991 | 0.77 | CA12 (0.52) | — | |
| SCHEMBL80292 | 0.74 | — | — | |
| SCHEMBL309861 | 0.73 | — | — | |
| SCHEMBL7193796 | 0.73 | CYP2C19 (0.33) | — | |
| SCHEMBL27624720 | 0.72 | EGLN1 (0.38) | — | |
| SCHEMBL37216 | 0.72 | — | — | |
| Iodide SCHEMBL7119508 | 0.71 | CYP2C19 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101495471-A | Novel indol-pyrrol derivatives for the treatment of proliferative and inflammatory diseases | SCHEBO BIOTECH AG (DE) | 2009-07-29 | — | — | CN | disclosed |