⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL28079131 | 0.81 | — | — | |
| Water SCHEMBL27509838 | 0.80 | — | — | |
| Water SCHEMBL28118224 | 0.80 | TSHR (1.00) | — | |
| SCHEMBL14877 | 0.80 | — | — | |
| SCHEMBL9492341 | 0.80 | TSHR (1.00) | — | |
| Isopropyl Alcohol SCHEMBL28248629 | 0.77 | — | — | |
| Hydroxyamine SCHEMBL8423525 | 0.77 | TSHR (0.75) | — | |
| SCHEMBL4147757 | 0.76 | TSHR (0.90) | — | |
| SCHEMBL11466524 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL22531397 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7244595-B2 | Method of maintaining or improving a nitrile hydratase activity | MITSUI CHEMICALS, INC. (JP) | 2007-07-17 | — | — | US | disclosed |
| US-20050014243-A1 | Method of maintaining or improving a nitrile hydratase activity | MITSUI CHEMICALS, INC. (JP) | 2005-01-20 | — | — | US | disclosed |