⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19973112 | 0.75 | — | — | |
| SCHEMBL19973111 | 0.74 | — | — | |
| SCHEMBL19973074 | 0.74 | KCNA3 (0.32) | — | |
| SCHEMBL19973052 | 0.72 | — | — | |
| SCHEMBL19973102 | 0.70 | — | — | |
| SCHEMBL19973060 | 0.69 | — | — | |
| SCHEMBL19973064 | 0.64 | — | — | |
| SCHEMBL19983701 | 0.64 | — | — | |
| SCHEMBL19973123 | 0.64 | CTSK (0.30) | — | |
| SCHEMBL21319095 | 0.62 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240025843-A1 | METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. | 2024-01-25 | — | — | US | disclosed |
| US-20190270700-A1 | METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS | UNIV FLORIDA (US) | 2019-09-05 | — | — | US | disclosed |
| WO-2018053322-A1 | METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2018-03-22 | — | — | WO | disclosed |