⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8918158 | 0.90 | CA1 (0.49) | — | |
| SCHEMBL6244506 | 0.88 | MC4R (0.49) | — | |
| SCHEMBL903058 | 0.82 | ABCB1 (0.47) | — | |
| SCHEMBL11572447 | 0.82 | ABCB1 (0.47) | — | |
| SCHEMBL3764570 | 0.81 | HTR6 (0.54) | — | |
| SCHEMBL16488227 | 0.81 | HTR6 (0.54) | — | |
| Hydrochloric Acid SCHEMBL28216900 | 0.79 | HTR6 (0.55) | — | |
| SCHEMBL2606119 | 0.79 | ADRA2A (0.53) | — | |
| SCHEMBL11470450 | 0.78 | ADRA2A (0.51) | — | |
| SCHEMBL25645586 | 0.78 | ADRA2A (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180044300-A1 | AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | NOVIRA THERAPEUTICS, INC. | 2018-02-15 | — | — | US | disclosed |
| US-9115113-B2 | Azepane derivatives and methods of treating hepatitis B infections | NOVIRA THERAPEUTICS, INC. (US) | 2015-08-25 | — | — | US | disclosed |
| US-20150132258-A1 | AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | NOVIRA THERAPEUTICS, INC., | 2015-05-14 | — | — | US | disclosed |