⚠ 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 | |
|---|---|---|---|---|
| Dichloropropane SCHEMBL27288931 | 0.97 | — | — | |
| Dichloropropane SCHEMBL26926449 | 0.86 | — | — | |
| Dichloropropane SCHEMBL74614 | 0.80 | — | — | |
| Dichloropropane SCHEMBL28132838 | 0.80 | ALDH1A1 (0.37) | — | |
| Propene SCHEMBL27689797 | 0.80 | — | — | |
| Propene SCHEMBL23404097 | 0.76 | — | — | |
| Dichloropropane SCHEMBL28930523 | 0.76 | — | — | |
| Dichloropropane SCHEMBL11241058 | 0.76 | — | — | |
| Dichloropropane SCHEMBL27391441 | 0.76 | — | — | |
| Dichloropropane SCHEMBL27700961 | 0.76 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102803229-B | Insecticidal compounds | SYNGENTA PARTICIPATIONS AG (CH) | 2016-03-16 | — | — | CN | disclosed |
| CN-105377816-A | Pyridine-2-carboxamides as nematocides | SYNGENTA PARTICIPATIONS AG | 2016-03-02 | — | — | CN | disclosed |
| WO-2011093695-A1 | A PROCESS FOR THE PREPARATION OF DICHLOROHYDRIN | CRISS CROSS TECHNOLOGY B.V. (NL) | 2011-08-04 | — | — | WO | disclosed |