⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4309 | 1.00 | — | — | |
| Bromide SCHEMBL9240812 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL971324 | 0.94 | — | — | |
| SCHEMBL5707642 | 0.94 | — | — | |
| Water SCHEMBL7852378 | 0.94 | — | — | |
| SCHEMBL9780539 | 0.94 | — | — | |
| SCHEMBL5014799 | 0.94 | — | — | |
| SCHEMBL18575052 | 0.94 | — | — | |
| SCHEMBL2911593 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3505113 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3684877-A1 | SILSESQUIOXANE POLYMERS, COMPOSITIONS, AND ARTICLES | 3M Innovative Properties Company (US) | 2020-07-29 | — | — | EP | disclosed |
| WO-2019058232-A1 | SILSESQUIOXANE POLYMERS, COMPOSITIONS, AND ARTICLES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2019-03-28 | — | — | WO | disclosed |
| US-6943189-B2 | Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG CO-A reductase inhibitors | G.D. SEARLE & CO. (US) | 2005-09-13 | — | — | US | disclosed |
| US-20040157915-A1 | Combination therapy employing ileal bile acid transport inhibiting benzothiepines and HMG Co-A reductase inhibitors | G.D. SEARLE & CO. (US) | 2004-08-12 | — | — | US | disclosed |