⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16957145 | 0.88 | TSHR (0.35) | — | |
| SCHEMBL16960279 | 0.87 | TSHR (0.32) | — | |
| SCHEMBL16951507 | 0.86 | NOTUM (0.32) | — | |
| SCHEMBL16959365 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL16958945 | 0.80 | KDM4E (0.40) | — | |
| SCHEMBL16955663 | 0.80 | — | — | |
| SCHEMBL16957472 | 0.78 | CYP1A2 (0.42) | — | |
| SCHEMBL16951859 | 0.78 | IKBKB (0.35) | — | |
| SCHEMBL16951332 | 0.77 | CA2 (0.37) | — | |
| SCHEMBL16958066 | 0.77 | DYRK1A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |