⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9866588 | 0.67 | — | — | |
| SCHEMBL7734647 | 0.65 | — | — | |
| Propionitrile SCHEMBL28077483 | 0.62 | — | — | |
| Propionitrile SCHEMBL2872825 | 0.60 | — | — | |
| Propionitrile SCHEMBL27701221 | 0.60 | — | — | |
| Propionitrile SCHEMBL28117218 | 0.60 | — | — | |
| Propane SCHEMBL27304070 | 0.60 | — | — | |
| Propionitrile SCHEMBL15485 | 0.60 | — | — | |
| SCHEMBL7723915 | 0.60 | — | — | |
| SCHEMBL7723918 | 0.60 | — | — |
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-102341375-B | Pyrimidine derivatives and for resisting the purposes of undesirable plant growing | 拜耳知识产权有限责任公司 | 2016-12-28 | — | — | CN | disclosed |
| CN-102341375-A | PYRIMIDINE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH | BAYER CROPSCIENCE AG | 2012-02-01 | — | — | CN | disclosed |