⚠ 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 | |
|---|---|---|---|---|
| Propylene Glycol SCHEMBL7437746 | 0.89 | TDP1 (0.71) | — | |
| Methyl Alcohol SCHEMBL14631040 | 0.84 | TSHR (0.43) | — | |
| Methyl Alcohol SCHEMBL2938777 | 0.84 | — | — | |
| Methyl Alcohol SCHEMBL1303760 | 0.84 | TSHR (0.43) | — | |
| Methyl Alcohol SCHEMBL3873053 | 0.84 | TSHR (0.43) | — | |
| Methyl Alcohol SCHEMBL15486105 | 0.84 | — | — | |
| SCHEMBL949 | 0.83 | — | — | |
| Alcohol SCHEMBL7158313 | 0.80 | — | — | |
| Methylamine SCHEMBL7494882 | 0.80 | — | — | |
| Water SCHEMBL4995754 | 0.79 | — | — |
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-4743692-A | N-(pyridinylalkyl)-thieno-or benzo-isothiazol-3-amine derivatives | AMERICAN HOME PRODUCTS CORPORATION (US) | 1988-05-10 | — | — | US | disclosed |