⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4827745 | 0.66 | — | — | |
| SCHEMBL10793690 | 0.59 | — | — | |
| SCHEMBL20797161 | 0.52 | TSHR (0.31) | — | |
| SCHEMBL17252170 | 0.48 | — | — | |
| SCHEMBL18828483 | 0.47 | — | — | |
| Fluoride SCHEMBL22032650 | 0.46 | TSHR (0.33) | — | |
| SCHEMBL20702340 | 0.45 | — | — | |
| SCHEMBL11827893 | 0.42 | — | — | |
| SCHEMBL6640037 | 0.40 | — | — | |
| Hydrochloric Acid SCHEMBL160675 | 0.40 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9708443-B2 | Efficient synthesis of rigid ladder polymers | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2017-07-18 | — | — | US | disclosed |