⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36839 | 0.62 | — | — | |
| SCHEMBL28304546 | 0.62 | ABAT (0.31) | — | |
| SCHEMBL11316071 | 0.61 | TSHR (0.33) | — | |
| SCHEMBL28702490 | 0.61 | TSHR (0.37) | — | |
| SCHEMBL28875004 | 0.61 | — | — | |
| SCHEMBL336164 | 0.61 | CHRM2 (0.65) | — | |
| SCHEMBL468058 | 0.61 | TSHR (0.37) | — | |
| Bromide SCHEMBL28859971 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL9359992 | 0.60 | — | — | |
| Iodide SCHEMBL10567947 | 0.60 | TSHR (0.36) | — |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |