⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21673018 | 0.86 | CYP19A1 (0.31) | — | |
| SCHEMBL21643648 | 0.86 | CYP19A1 (0.31) | — | |
| SCHEMBL21673020 | 0.86 | CYP19A1 (0.31) | — | |
| SCHEMBL21673028 | 0.73 | TAS2R31 (0.35) | — | |
| SCHEMBL21673030 | 0.71 | PTPN11 (0.44) | — | |
| SCHEMBL16919301 | 0.62 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL16919288 | 0.62 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL18671560 | 0.59 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL16919578 | 0.59 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL16919571 | 0.59 | SMN1; SMN2 (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11814396-B2 | Sesquiterpenoid analogs | PURDUE RESEARCH FOUNDATION (US) | 2023-11-14 | — | — | US | disclosed |
| US-11518770-B2 | Sesquiterpenoid analogs | PURDUE RESEARCH FOUNDATION (US) | 2022-12-06 | — | — | US | disclosed |
| WO-2020033286-A1 | NOVEL SESQUITERPENOID ANALOGS | PURDUE RESEARCH FOUNDATION (US) | 2020-02-13 | — | — | WO | disclosed |
| US-20200040000-A1 | NOVEL SESQUITERPENOID ANALOGS | PURDUE RESEARCH FOUNDATION (US) | 2020-02-06 | — | — | US | disclosed |