⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13025219 | 0.82 | — | — | |
| SCHEMBL10451076 | 0.76 | EPHX1 (0.55) | — | |
| SCHEMBL21882 | 0.75 | — | — | |
| SCHEMBL1473105 | 0.74 | — | — | |
| SCHEMBL18522557 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL11527395 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL1406213 | 0.72 | CES2 (0.46) | — | |
| Iodide SCHEMBL7869089 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL11531992 | 0.72 | TSHR (0.43) | — | |
| SCHEMBL10591515 | 0.72 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2900660-B1 | HERBICIDAL AND FUNGICIDAL 3-HETEROARYLISOXAZOLIN-5-CARBOXAMIDES AND 3-HETEROARYLISOXAZOLIN-5-THIOAMIDES | BAYER CROPSCIENCE AG (DE) | 2018-01-17 | — | — | EP | disclosed |
| EP-1255738-B1 | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | NEUROCRINE BIOSCIENCES INC (US) | 2012-03-07 | — | — | EP | disclosed |