⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6013582 | 0.80 | — | — | |
| SCHEMBL31723003 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL28006717 | 0.74 | — | — | |
| SCHEMBL8015117 | 0.72 | F2 (0.34) | — | |
| SCHEMBL7700023 | 0.70 | CA1 (0.33) | — | |
| SCHEMBL6685524 | 0.68 | — | — | |
| SCHEMBL24521474 | 0.67 | — | — | |
| SCHEMBL19170278 | 0.67 | — | — | |
| SCHEMBL2659047 | 0.65 | — | — | |
| SCHEMBL24521520 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0890176-A1 | PROTON CONDUCTOR IN LIQUID FORM | HYDRO-QUEBEC (CA) | 1999-01-13 | — | — | EP | disclosed |
| WO-1998029877-A1 | PROTON CONDUCTOR IN LIQUID FORM | HYDRO-QUEBEC (CA) | 1998-07-09 | — | — | WO | disclosed |