⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9817300 | 0.80 | — | — | |
| SCHEMBL22158 | 0.78 | — | — | |
| SCHEMBL23622 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL11222094 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11222091 | 0.74 | — | — | |
| SCHEMBL5167360 | 0.70 | — | — | |
| SCHEMBL8855457 | 0.70 | — | — | |
| SCHEMBL6461047 | 0.70 | — | — | |
| SCHEMBL63592 | 0.67 | — | — | |
| SCHEMBL1221821 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380237-B1 | AS PESTICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-30 | — | — | US | claimed |
| US-6380237-B1 | AS PESTICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-30 | — | — | US | disclosed |
| EP-1095023-A1 | DIPHENYLIMIDAZOLINES | BAYER AG (DE) | 2001-05-02 | — | — | EP | disclosed |
| WO-2000003995-A1 | DIPHENYLIMIDAZOLINES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-01-27 | — | — | WO | disclosed |