⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2162569 | 1.00 | — | — | |
| SCHEMBL2162572 | 1.00 | — | — | |
| SCHEMBL10862636 | 0.77 | — | — | |
| SCHEMBL18606067 | 0.77 | — | — | |
| SCHEMBL18606066 | 0.77 | — | — | |
| SCHEMBL15348060 | 0.77 | — | — | |
| SCHEMBL2163218 | 0.77 | — | — | |
| SCHEMBL2163215 | 0.77 | — | — | |
| SCHEMBL4144617 | 0.73 | — | — | |
| SCHEMBL18005840 | 0.73 | — | — |
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-10800790-B2 | Sesquiterpenoid STAT3 inhibitors | UNIVERSITY OF HAWAII (US) | 2020-10-13 | — | — | US | claimed |
| EP-3430151-A1 | MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATICS COMPOUNDS | William Marsh Rice University (US) | 2019-01-23 | — | — | EP | claimed |
| WO-2017161041-A1 | MICROBIAL SYNTHESIS OF ISOPRENOID PRECURSORS, ISOPRENOIDS AND DERIVATIVES INCLUDING PRENYLATED AROMATICS COMPOUNDS | WILLIAM MARSH RICE UNIVERSITY (US) | 2017-09-21 | — | — | WO | claimed |