⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28276145 | 0.86 | TSHR (0.31) | — | |
| SCHEMBL27700042 | 0.78 | TSHR (0.50) | — | |
| SCHEMBL17361250 | 0.77 | — | — | |
| SCHEMBL8698775 | 0.72 | — | — | |
| SCHEMBL28419584 | 0.69 | — | — | |
| SCHEMBL737275 | 0.69 | — | — | |
| SCHEMBL25390364 | 0.67 | — | — | |
| SCHEMBL4949512 | 0.67 | — | — | |
| SCHEMBL18843651 | 0.67 | — | — | |
| SCHEMBL7610331 | 0.67 | — | — |
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 |