⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10819105 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL7856491 | 0.76 | — | — | |
| SCHEMBL1077999 | 0.74 | TSHR (0.45) | — | |
| SCHEMBL10355651 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL20969218 | 0.73 | TDP1 (0.31) | — | |
| SCHEMBL2511847 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL90556 | 0.72 | — | — | |
| SCHEMBL700525 | 0.72 | — | — | |
| SCHEMBL9489500 | 0.71 | — | — | |
| SCHEMBL28270223 | 0.71 | ALDH1A1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100152048-A1 | PROCESS FOR PREPARING AND APPLYING PESTICIDE OR HERBICIDE FORMULATION | CIBA CORPORATION (US) | 2010-06-17 | — | — | US | disclosed |
| EP-2124571-A2 | PROCESS FOR PREPARING AND APPLYING A PESTICIDE OR HERBICIDE SPRAYABLE FORMULATION | BASF SE (DE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008101818-A2 | PROCESS FOR PREPARING AND APPLYING PESTICIDE OR HERBICIDE FORMULATION | BASF SE (DE) | 2008-08-28 | — | — | WO | disclosed |