⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19984109 | 0.81 | CHRNB2 (0.35) | — | |
| SCHEMBL19984249 | 0.71 | TDO2 (0.41) | — | |
| SCHEMBL19983943 | 0.70 | CYP3A4 (0.36) | — | |
| SCHEMBL19984048 | 0.70 | TDO2 (0.42) | — | |
| SCHEMBL19983731 | 0.65 | GPR84 (0.37) | — | |
| SCHEMBL3281375 | 0.60 | HTR2A (0.61) | — | |
| SCHEMBL19983861 | 0.59 | GPR84 (0.41) | — | |
| SCHEMBL19983797 | 0.57 | KMT2A (0.35) | — | |
| SCHEMBL19984234 | 0.57 | BCL6 (0.38) | — | |
| SCHEMBL19984142 | 0.57 | BACE1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3052484-B1 | SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME | DAE WOONG PHARMA (KR) | 2018-03-21 | — | — | EP | disclosed |