⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3297880 | 0.78 | TSHR (0.53) | — | |
| SCHEMBL11528170 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL9419510 | 0.73 | — | — | |
| SCHEMBL9513461 | 0.73 | — | — | |
| SCHEMBL28639832 | 0.73 | TSHR (0.47) | — | |
| SCHEMBL31669632 | 0.71 | TSHR (0.44) | — | |
| SCHEMBL1700957 | 0.71 | TSHR (0.44) | — | |
| Chloropicrin SCHEMBL75169 | 0.68 | — | — | |
| Chloropicrin SCHEMBL604956 | 0.68 | TSHR (1.00) | — | |
| SCHEMBL11326956 | 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-5049571-A | Insecticides | CIBA-GEIGY CORPORATION (US) | 1991-09-17 | — | — | US | disclosed |
| EP-0381130-A2 | Production of alpha-unsaturated amines | Takeda Chemical Industries, Ltd. (JP) | 1990-08-08 | — | — | EP | disclosed |
| US-4918086-A | PESTICIDES, INSECTICIDES | CIBA-GEIGY CORPORATION (US) | 1990-04-17 | — | — | US | disclosed |
| CN-1031080-A | 1-nitro-2, the 2-diaminoethylene derivatives | CIBA GEIGY AG (CH) | 1989-02-15 | — | — | CN | disclosed |