⚠ 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 | |
|---|---|---|---|---|
| Chloropicrin SCHEMBL604956 | 0.89 | TSHR (1.00) | — | |
| Chloropicrin SCHEMBL75169 | 0.89 | — | — | |
| Chloropicrin SCHEMBL4543212 | 0.86 | — | — | |
| Chloropicrin SCHEMBL10492142 | 0.86 | TSHR (0.79) | — | |
| Chloropicrin SCHEMBL28145121 | 0.85 | — | — | |
| Chloropicrin SCHEMBL31207791 | 0.85 | — | — | |
| Chloropicrin SCHEMBL10611964 | 0.85 | — | — | |
| Chloropicrin SCHEMBL4919593 | 0.83 | TSHR (0.73) | — | |
| Chloropicrin SCHEMBL11663423 | 0.83 | TSHR (0.73) | — | |
| Chloropicrin SCHEMBL27750438 | 0.80 | TSHR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101480180-B | Mixed pesticide capsule preparation for preventing and treating nematode and soil-borne disease | INST PLANT PROTECTION IPP CAAS | 2012-03-21 | — | — | CN | disclosed |
| CN-101480180-A | Mixed pesticide capsule preparation for preventing and treating nematode and soil-borne disease | INST PLANT PROTECTION IPP CAAS (CN) | 2009-07-15 | — | — | CN | disclosed |