⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2827899 | 0.79 | — | — | |
| SCHEMBL2357680 | 0.79 | — | — | |
| SCHEMBL27038721 | 0.75 | — | — | |
| SCHEMBL15810215 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL11050759 | 0.70 | — | — | |
| SCHEMBL7597464 | 0.70 | — | — | |
| SCHEMBL11474238 | 0.70 | — | — | |
| SCHEMBL7597468 | 0.70 | — | — | |
| SCHEMBL5698106 | 0.69 | POLB (0.32) | — | |
| SCHEMBL28983397 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1914233-B8 | Silyl-protected hydroxymethyl-carbamoylalkyl-ketones as intermediates in the preparation of dopamine-beta-hydroxylase inhibitors | BIAL PORTELA & CA SA (PT) | 2011-04-13 | — | — | EP | disclosed |
| EP-1914233-B1 | Silyl-protected hydroxymethyl-carbamoylalkyl-ketones as intermediates in the preparation of dopamine-beta-hydroxylase inhibitors | PORTELA & CA SA (PT) | 2011-03-02 | — | — | EP | disclosed |