⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29129501 | 0.78 | — | — | |
| SCHEMBL28961203 | 0.78 | — | — | |
| SCHEMBL519002 | 0.76 | — | — | |
| SCHEMBL433965 | 0.76 | — | — | |
| SCHEMBL836049 | 0.76 | — | — | |
| SCHEMBL27820661 | 0.74 | — | — | |
| SCHEMBL28256618 | 0.72 | — | — | |
| SCHEMBL25111573 | 0.72 | — | — | |
| SCHEMBL10169122 | 0.72 | — | — | |
| SCHEMBL4954752 | 0.72 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107400075-A | A kind of preparation method of pregabalin intermediate | 湖南华腾制药有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-104788428-B | A kind of pyridazinone bipyrrolidine ketone derivatives, preparation method and application | 南京农业大学 | 2017-10-24 | — | — | CN | disclosed |
| WO-2015073774-A1 | AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | NOVIRA THERAPEUTICS, INC. (US) | 2015-05-21 | — | — | WO | disclosed |