⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL453425 | 0.71 | — | — | |
| SCHEMBL10116483 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL27747712 | 0.69 | TSHR (0.42) | — | |
| Hydrochloric Acid SCHEMBL3302683 | 0.69 | TSHR (0.42) | — | |
| SCHEMBL4452432 | 0.69 | — | — | |
| Water SCHEMBL29273169 | 0.69 | TSHR (0.42) | — | |
| SCHEMBL12149824 | 0.69 | — | — | |
| SCHEMBL11479438 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL1404 | 0.68 | — | — | |
| SCHEMBL2154133 | 0.68 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100105671-A1 | C7-fluoro substituted tetracycline compounds | TETRAPHASE PHARMACEUTICALS, INC. | 2010-04-29 | — | — | US | disclosed |
| US-7514574-B2 | Biodegradable penetration enhancers with multiple hydrophilic moieties | WONG OOI | 2009-04-07 | — | — | US | disclosed |
| US-20050032893-A1 | New biodegradable penetration enhancers with multiple hydrophilic moieties | WONG OOI (US) | 2005-02-10 | — | — | US | disclosed |