⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3214699 | 0.91 | — | — | |
| SCHEMBL6263691 | 0.88 | HSD11B1 (0.30) | — | |
| SCHEMBL3210900 | 0.76 | — | — | |
| SCHEMBL8407084 | 0.71 | — | — | |
| SCHEMBL9843394 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL9860718 | 0.69 | — | — | |
| SCHEMBL11466561 | 0.69 | — | — | |
| SCHEMBL5525660 | 0.67 | — | — | |
| SCHEMBL4466505 | 0.67 | — | — | |
| SCHEMBL3502616 | 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-20100041700-A1 | Substituted 1-(Azolin-2-yl)-Amino-1,2-Heterocyclyl-Ethane Compounds For Combating Pests | BASF SE (DE) | 2010-02-18 | — | — | US | disclosed |
| US-5856612-A | USING A COORDINATION CATALYST CONTAINING CHROMIUM | MITSUBISHI CHEMICAL CORPORATION (JP) | 1999-01-05 | — | — | US | disclosed |