⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5175094 | 0.58 | TLR4 (0.50) | — | |
| Hydrochloric Acid SCHEMBL15092650 | 0.57 | — | — | |
| SCHEMBL15656974 | 0.56 | MAPT (0.47) | — | |
| SCHEMBL7369844 | 0.56 | — | — | |
| SCHEMBL1161986 | 0.56 | — | — | |
| SCHEMBL5197085 | 0.55 | — | — | |
| SCHEMBL10434498 | 0.52 | — | — | |
| SCHEMBL4620029 | 0.52 | — | — | |
| SCHEMBL15312815 | 0.51 | — | — | |
| SCHEMBL13214268 | 0.51 | — | — |
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-0101004-B2 | PROCESS FOR PREPARING 4-OXO-4, 5, 6, 7-TETRAHYDROINDOLE DERIVATIVE | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1991-10-16 | — | — | EP | disclosed |