⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16630298 | 0.78 | — | — | |
| SCHEMBL21853512 | 0.74 | SORT1 (0.38) | — | |
| SCHEMBL21853513 | 0.74 | SORT1 (0.38) | — | |
| SCHEMBL20837406 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL24915982 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL21961217 | 0.60 | SORT1 (0.61) | — | |
| SCHEMBL19264224 | 0.59 | — | — | |
| SCHEMBL15566032 | 0.56 | — | — | |
| SCHEMBL12760254 | 0.55 | — | — | |
| SCHEMBL31727818 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9051265-B2 | N-benzylindole modulators of PPARG | THE SCRIPPS RESEARCH INSTITUTE (US) | 2015-06-09 | — | — | US | disclosed |
| US-20120309769-A1 | N-BENZYLINDOLE MODULATORS OF PPARG | SCRIPPS RESEARCH INSTITUTE, THE (US) | 2012-12-06 | — | — | US | disclosed |