⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL901347 | 0.78 | TSHR (0.37) | — | |
| SCHEMBL812660 | 0.70 | TSHR (0.35) | — | |
| SCHEMBL19148667 | 0.70 | TSHR (0.30) | — | |
| SCHEMBL1420315 | 0.64 | — | — | |
| SCHEMBL9238628 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL443849 | 0.62 | — | — | |
| SCHEMBL4305849 | 0.62 | ALDH1A1 (0.37) | — | |
| SCHEMBL11057313 | 0.62 | MAPT (0.36) | — | |
| SCHEMBL11507676 | 0.62 | NR1H2 (0.31) | — | |
| SCHEMBL10784601 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110218250-A1 | COMPOSITION BASED ON GLYCEROL ETHER/POLYOL MIXTURES | AIR LIQUIDE SANTE (INTERNATIONAL) (FR) | 2011-09-08 | — | — | US | claimed |
| JP-51149216-A | — | — | None | — | — | JP | disclosed |
| US-4237249-A | THICKENER FROM ACRYLAMIDE SUITABLE FOR PRINTING PASTES | CASSELLA AKTIENGESELLSCHAFT (DE) | 1980-12-02 | — | — | US | disclosed |
| JP-S51149216-A | PROCESS FOR PREPARATION OF GLYCERYLETHER | NIKKO KEMIKARUZU KK | 1976-12-22 | — | — | JP | disclosed |