⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28550702 | 0.68 | TSHR (0.37) | — | |
| SCHEMBL11450034 | 0.66 | GSTP1 (0.33) | — | |
| SCHEMBL15973797 | 0.62 | KDM4E (0.40) | — | |
| SCHEMBL988375 | 0.61 | PTGS1 (0.39) | — | |
| SCHEMBL3503463 | 0.61 | HDAC4 (0.37) | — | |
| SCHEMBL15251670 | 0.61 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL30297373 | 0.61 | PIN1 (0.36) | — | |
| SCHEMBL5272843 | 0.61 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL10886779 | 0.61 | KDM4E (0.39) | — | |
| SCHEMBL4448038 | 0.61 | HDAC4 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5216175-A | Polyoxoheterocyclic tetracylic derivatives | SRI INTERNATIONAL (US) | 1993-06-01 | — | — | US | disclosed |
| EP-0479970-A1 | ANTIMALARIAL ANALOGS OF ARTEMISININ | SRI INTERNATIONAL (US) | 1992-04-15 | — | — | EP | disclosed |
| WO-1991014689-A1 | ANTIMALARIAL ANALOGS OF ARTEMISININ | SRI INTERNATIONAL (US) | 1991-10-03 | — | — | WO | disclosed |