⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL349518 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL19409355 | 0.84 | SLC22A1 (0.30) | — | |
| Iodide SCHEMBL31683153 | 0.83 | TSHR (0.31) | — | |
| Fluoride Ion SCHEMBL31683151 | 0.83 | TSHR (0.31) | — | |
| Bromide SCHEMBL31683090 | 0.83 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL31683057 | 0.83 | KDM4E (0.38) | — | |
| Water SCHEMBL31683099 | 0.83 | TSHR (0.31) | — | |
| SCHEMBL19409368 | 0.75 | — | — | |
| SCHEMBL27631358 | 0.75 | — | — | |
| SCHEMBL6896487 | 0.73 | — | — |
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-20170287651-A1 | CAPACITOR AND CAPACITOR MODULE | KOMATSU LTD. (JP) | 2017-10-05 | — | — | US | disclosed |