⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7075808 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL6550162 | 0.79 | — | — | |
| SCHEMBL20336195 | 0.76 | — | — | |
| SCHEMBL19222495 | 0.76 | — | — | |
| SCHEMBL3909589 | 0.76 | — | — | |
| SCHEMBL5274498 | 0.71 | — | — | |
| SCHEMBL6058558 | 0.67 | — | — | |
| SCHEMBL4649032 | 0.66 | — | — | |
| SCHEMBL6291468 | 0.66 | — | — | |
| SCHEMBL11297318 | 0.65 | — | — |
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-109415306-A | The preparation method of 2- cyclohexylidene -2- phenylacetonitrile and its odorous analogue | 阿甘香气及精细化学有限公司 | 2019-03-01 | — | — | CN | disclosed |