⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3241003 | 0.80 | — | — | |
| SCHEMBL6219210 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL992137 | 0.68 | — | — | |
| SCHEMBL11756060 | 0.67 | — | — | |
| SCHEMBL1867792 | 0.65 | — | — | |
| SCHEMBL9660132 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL11289641 | 0.65 | — | — | |
| SCHEMBL30384553 | 0.64 | — | — | |
| SCHEMBL4337201 | 0.62 | TSHR (0.38) | — | |
| SCHEMBL6325679 | 0.62 | MEN1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0306547-B1 | 2-HYDROCARBYL-3,6-DICHLOROPYRIDINES AND THEIR PREPARATION | DOWELANCO (US) | 1992-06-10 | — | — | EP | disclosed |
| US-5106984-A | Reacting acrylonitrile and a dichloromethyl hydrocarbyl ketone, acidifying intermediate formed | THE DOW CHEMICAL COMPANY (US) | 1992-04-21 | — | — | US | disclosed |
| US-5084576-A | Herbicides and nitrification inhibitors | THE DOW CHEMICAL COMPANY (US) | 1992-01-28 | — | — | US | disclosed |
| EP-0306547-A1 | 2-Hydrocarbyl-3,6-dichloropyridines and their preparation | DOWELANCO (US) | 1989-03-15 | — | — | EP | disclosed |