⚠ 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 | |
|---|---|---|---|---|
| Hypophosphorous Acid SCHEMBL7208228 | 0.97 | TSHR (0.42) | — | |
| Hypophosphorous Acid SCHEMBL7207640 | 0.97 | TSHR (0.42) | — | |
| Hypophosphorous Acid SCHEMBL7205087 | 0.97 | TSHR (0.42) | — | |
| Hypophosphorous Acid SCHEMBL7204888 | 0.97 | TSHR (0.42) | — | |
| Hypophosphorous Acid SCHEMBL7206285 | 0.97 | TSHR (0.42) | — | |
| Methyl Alcohol SCHEMBL29141641 | 0.82 | — | — | |
| SCHEMBL37855 | 0.82 | — | — | |
| SCHEMBL27946394 | 0.82 | TSHR (0.54) | — | |
| Acetone SCHEMBL1618269 | 0.80 | CES1 (0.46) | — | |
| Hydrogen Peroxide SCHEMBL3127404 | 0.79 | TSHR (0.53) | — |
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-2003014244-A1 | BINDING AGENT COMPONENT FOR SURFACE COATING AGENTS WITH IMPROVED ADHESIVE PROPERTIES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-02-20 | — | — | WO | disclosed |