⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10827189 | 0.73 | — | — | |
| SCHEMBL31296264 | 0.73 | THRB (0.38) | — | |
| SCHEMBL31296245 | 0.72 | THRB (0.50) | — | |
| SCHEMBL31296267 | 0.72 | THRB (0.50) | — | |
| SCHEMBL868797 | 0.72 | — | — | |
| SCHEMBL10520093 | 0.72 | — | — | |
| SCHEMBL10354636 | 0.72 | — | — | |
| SCHEMBL8469025 | 0.72 | — | — | |
| SCHEMBL11123048 | 0.69 | — | — | |
| SCHEMBL365943 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6667310-B2 | Insecticides | BAYER AKTIENGESELLSCHAFT (DE) | 2003-12-23 | — | — | US | disclosed |
| US-20030119828-A1 | Substituted guanidine derivatives | WAGNER KLAUS (DE) | 2003-06-26 | — | — | US | disclosed |
| US-6503912-B1 | Pesticides, insecticides, and nematocides | BAYER AKTIENGESELLSCHAFT (DE) | 2003-01-07 | — | — | US | disclosed |
| EP-1047689-A1 | SUBSTITUTED GUANIDINE DERIVATIVES | Bayer Aktiengesellschaft (DE) | 2000-11-02 | — | — | EP | disclosed |
| WO-1999035141-A1 | SUBSTITUTED GUANIDINE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-15 | — | — | WO | disclosed |