⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19973053 | 0.72 | — | — | |
| SCHEMBL19973054 | 0.72 | — | — | |
| SCHEMBL19973113 | 0.62 | NOS1 (0.35) | — | |
| SCHEMBL11668566 | 0.61 | GBA1 (0.31) | — | |
| SCHEMBL29678503 | 0.59 | TSHR (0.39) | — | |
| SCHEMBL16211186 | 0.58 | LMNA (0.38) | — | |
| SCHEMBL17215700 | 0.57 | TSHR (0.42) | — | |
| SCHEMBL8010053 | 0.57 | TSHR (0.47) | — | |
| SCHEMBL11860786 | 0.57 | CYP1A2 (0.38) | — | |
| SCHEMBL18798987 | 0.57 | CCR2 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018053322-A1 | METHODS AND COMPOSITIONS FOR TERPENOID SYNTHESIS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2018-03-22 | — | — | WO | disclosed |