⚠ 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 | |
|---|---|---|---|---|
| Oxirane SCHEMBL28403030 | 0.96 | — | — | |
| Tetrahydrofuran SCHEMBL29225325 | 0.85 | — | — | |
| Dioxane SCHEMBL440246 | 0.82 | — | — | |
| Dioxane SCHEMBL23167502 | 0.82 | TTR (0.60) | — | |
| Dioxane SCHEMBL29028444 | 0.82 | ALDH1A1 (0.40) | — | |
| Dioxane SCHEMBL9133558 | 0.79 | TSHR (0.45) | — | |
| Dioxane SCHEMBL15422680 | 0.78 | TTR (0.55) | — | |
| Dioxane SCHEMBL20141462 | 0.78 | TTR (0.55) | — | |
| Dioxane SCHEMBL28112516 | 0.78 | TTR (0.55) | — | |
| Oxirane SCHEMBL28157116 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023194841-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN ULCERATIVE COLITIS | UNICHEM LABORATORIES LIMITED (IN) | 2023-10-12 | — | — | WO | disclosed |
| WO-2023194840-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN COVID-19 | UNICHEM LABORATORIES LIMITED (IN) | 2023-10-12 | — | — | WO | disclosed |
| WO-2023194842-A1 | SUBSTITUTED TRICYCLIC COMPOUNDS AND THEIR USE IN RHEUMATOID ARTHRITIS | UNICHEM LABORATORIES LIMITED (IN) | 2023-10-12 | — | — | WO | disclosed |