⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27887961 | 0.97 | TSHR (0.35) | — | |
| SCHEMBL3217284 | 0.92 | — | — | |
| SCHEMBL28142962 | 0.89 | TSHR (0.42) | — | |
| SCHEMBL8878250 | 0.86 | TSHR (0.46) | — | |
| SCHEMBL28143661 | 0.86 | TSHR (0.46) | — | |
| SCHEMBL29113310 | 0.86 | TSHR (0.46) | — | |
| SCHEMBL11847078 | 0.85 | TSHR (0.39) | — | |
| SCHEMBL11772062 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL28002820 | 0.81 | TSHR (0.46) | — | |
| SCHEMBL14151313 | 0.80 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007103762-A2 | COMPOSITIONS AND METHODS OF USE OF ELECTRON TRANSPORT SYSTEM INHIBITORS | COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2007-09-13 | — | — | WO | disclosed |