⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL1224843 | 0.93 | — | — | |
| Butane SCHEMBL2204028 | 0.86 | — | — | |
| Butane SCHEMBL2992908 | 0.86 | — | — | |
| Butane SCHEMBL10616978 | 0.86 | — | — | |
| Butane SCHEMBL3593 | 0.84 | — | — | |
| Butane SCHEMBL8628663 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL2470336 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL1734106 | 0.84 | — | — | |
| Butane SCHEMBL9292387 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL1617316 | 0.80 | — | — |
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-103772441-B | A kind of (S)-1-ferrocenyl dimethylamine is converted into the synthetic method of (R)-1-ferrocenyl dimethylamine | 浙江中山化工集团股份有限公司 | 2016-08-17 | — | — | CN | disclosed |