⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1881396 | 0.91 | TSHR (0.33) | — | |
| SCHEMBL23466820 | 0.86 | TSHR (0.37) | — | |
| SCHEMBL16123667 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL11229234 | 0.79 | MEN1 (0.34) | — | |
| SCHEMBL14283288 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL13455999 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL15606199 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL11604099 | 0.77 | EPHX1 (0.39) | — | |
| SCHEMBL7784480 | 0.75 | MEN1 (0.31) | — | |
| SCHEMBL15129680 | 0.75 | TSHR (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4335039-A | DIOXANE PHOSPHITE STABILIZER | GENERAL ELECTRIC COMPANY (US) | 1982-06-15 | — | — | US | disclosed |
| US-4102859-A | PHOSPHOROUS ACID ESTERS WITH OXETANE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1978-07-25 | — | — | US | disclosed |