⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL926771 | 0.91 | — | — | |
| SCHEMBL928190 | 0.89 | PDK2 (0.32) | — | |
| SCHEMBL854908 | 0.88 | — | — | |
| SCHEMBL926014 | 0.84 | PARP1 (0.30) | — | |
| SCHEMBL28802064 | 0.84 | MCHR1 (0.35) | — | |
| SCHEMBL855032 | 0.82 | — | — | |
| SCHEMBL902351 | 0.82 | — | — | |
| SCHEMBL925880 | 0.81 | — | — | |
| SCHEMBL926057 | 0.81 | EPHX2 (0.35) | — | |
| SCHEMBL15492074 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101939295-B | Insecticidal arylpyrrolines | BAYER CROPSCIENCE AG | 2013-04-24 | — | — | CN | disclosed |